3-fluoro-2-(5-methylfuran-2-yl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-(4-methylthiophen-2-yl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-(5-methylthiophen-2-yl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-naphthalen-2-yl-4-pyrrolo[3,2-c]pyridin-1-ylquinoline

C89H58F4N12OS2 — CID 159649431

IUPAC3-fluoro-2-(5-methylfuran-2-yl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-(4-methylthiophen-2-yl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-(5-methylthiophen-2-yl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-naphthalen-2-yl-4-pyrrolo[3,2-c]pyridin-1-ylquinoline
SMILESCc1ccc(-c2nc3ccccc3c(-n3ccc4cnccc43)c2F)o1.Cc1ccc(-c2nc3ccccc3c(-n3ccc4cnccc43)c2F)s1.Cc1csc(-c2nc3ccccc3c(-n3ccc4cnccc43)c2F)c1.Fc1c(-c2ccc3ccccc3c2)nc2ccccc2c1-n1ccc2cnccc21
InChIInChI=1S/C26H16FN3.C21H14FN3O.2C21H14FN3S/c27-24-25(19-10-9-17-5-1-2-6-18(17)15-19)29-22-8-4-3-7-21(22)26(24)30-14-12-20-16-28-13-11-23(20)30;1-13-6-7-18(26-13)20-19(22)21(15-4-2-3-5-16(15)24-20)25-11-9-14-12-23-10-8-17(14)25;1-13-10-18(26-12-13)20-19(22)21(15-4-2-3-5-16(15)24-20)25-9-7-14-11-23-8-6-17(14)25;1-13-6-7-18(26-13)20-19(22)21(15-4-2-3-5-16(15)24-20)25-11-9-14-12-23-10-8-17(14)25/h1-16H;3*2-12H,1H3
InChIKeyMRJLIJGBONISNV-UHFFFAOYSA-N
MW1451.65 g/mol
LogP23.31
Rot. Bonds8

About 3-fluoro-2-(5-methylfuran-2-yl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-(4-methylthiophen-2-yl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-(5-methylthiophen-2-yl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-naphthalen-2-yl-4-pyrrolo[3,2-c]pyridin-1-ylquinoline

3-fluoro-2-(5-methylfuran-2-yl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-(4-methylthiophen-2-yl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-(5-methylthiophen-2-yl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-naphthalen-2-yl-4-pyrrolo[3,2-c]pyridin-1-ylquinoline (PubChem CID 159649431) has the molecular formula C89H58F4N12OS2 and a molecular weight of 1451.65 g/mol. Its IUPAC name is 3-fluoro-2-(5-methylfuran-2-yl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-(4-methylthiophen-2-yl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-(5-methylthiophen-2-yl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-naphthalen-2-yl-4-pyrrolo[3,2-c]pyridin-1-ylquinoline.

Molecular Properties

Compound Name3-fluoro-2-(5-methylfuran-2-yl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-(4-methylthiophen-2-yl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-(5-methylthiophen-2-yl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-naphthalen-2-yl-4-pyrrolo[3,2-c]pyridin-1-ylquinoline
PubChem CID159649431
Molecular FormulaC89H58F4N12OS2
Molecular Weight1451.65 g/mol
Exact Mass1450.42
IUPAC Name3-fluoro-2-(5-methylfuran-2-yl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-(4-methylthiophen-2-yl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-(5-methylthiophen-2-yl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-naphthalen-2-yl-4-pyrrolo[3,2-c]pyridin-1-ylquinoline
SMILESCc1ccc(-c2nc3ccccc3c(-n3ccc4cnccc43)c2F)o1.Cc1ccc(-c2nc3ccccc3c(-n3ccc4cnccc43)c2F)s1.Cc1csc(-c2nc3ccccc3c(-n3ccc4cnccc43)c2F)c1.Fc1c(-c2ccc3ccccc3c2)nc2ccccc2c1-n1ccc2cnccc21
InChIInChI=1S/C26H16FN3.C21H14FN3O.2C21H14FN3S/c27-24-25(19-10-9-17-5-1-2-6-18(17)15-19)29-22-8-4-3-7-21(22)26(24)30-14-12-20-16-28-13-11-23(20)30;1-13-6-7-18(26-13)20-19(22)21(15-4-2-3-5-16(15)24-20)25-11-9-14-12-23-10-8-17(14)25;1-13-10-18(26-12-13)20-19(22)21(15-4-2-3-5-16(15)24-20)25-9-7-14-11-23-8-6-17(14)25;1-13-6-7-18(26-13)20-19(22)21(15-4-2-3-5-16(15)24-20)25-11-9-14-12-23-10-8-17(14)25/h1-16H;3*2-12H,1H3
InChIKeyMRJLIJGBONISNV-UHFFFAOYSA-N
XLogP23.31
TPSA135.98 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds8
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001451.65
LogP ≤ 523.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 3-fluoro-2-(5-methylfuran-2-yl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-(4-methylthiophen-2-yl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-(5-methylthiophen-2-yl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-naphthalen-2-yl-4-pyrrolo[3,2-c]pyridin-1-ylquinoline with MolForge

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Related Compounds

15-(1-benzothiophen-3-yl)-17-methyl-10-oxa-18-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;15-dibenzofuran-2-yl-20-methyl-10-oxa-18-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;4-(19-methyl-10-oxa-18-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaen-15-yl)-N,N-diphenylaniline;15-(9-phenylcarbazol-3-yl)-10-oxa-19,20-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;12-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]-17-oxa-10-azahexacyclo[12.11.0.02,11.04,9.016,24.018,23]pentacosa-1(25),2,4,6,8,10,12,14,16(24),18,20,22-dodecaene
CID 157258443
1-azoniatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8,10,12-heptaene-9-carbaldehyde;9-formyl-6H-pyrido[2,1-a]isoindol-5-ium-2-carbonitrile;9-formyl-6H-pyrido[2,1-a]isoindol-5-ium-3-carbonitrile;4H-furo[2,3-a]indolizin-5-ium-2-carbaldehyde;4H-thieno[2,3-a]indolizin-5-ium-2-carbaldehyde;2-(trifluoromethyl)-6H-pyrido[2,1-a]isoindol-5-ium-9-carbaldehyde
CID 158233467
4-(2-Decylthiophen-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2,5-dihexylthiophen-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(1,3-dimethylnaphthalen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(1-ethyl-2-hexylpyrrol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2-hexylfuran-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(4-hexylthieno[2,3-b]thiophen-5-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 158349808
6-[4-[3-(8-Carbazol-9-yldibenzofuran-4-yl)-1,2-dihydrocarbazol-9-yl]-8-(8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-6-yl)dibenzofuran-2-yl]-8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 87766443
6-[4-[3-(4-Dibenzothiophen-4-ylphenyl)-6-[4-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]carbazol-9-yl]phenyl]-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 121449354
9-Methyl-2-[5-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]furan-2-yl]carbazole;9-methyl-2-[5-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]thiophen-2-yl]carbazole
CID 123334351
CID 157061310
CID 157061310
2-(2,3-Dihydro-1-benzofuran-5-yl)-3-fluoro-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;4-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)-3-fluoro-2-(2-fluorophenyl)quinoline;3-fluoro-2-(5-methylfuran-2-yl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-(4-methylthiophen-2-yl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-(5-methylthiophen-2-yl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline
CID 157070326
14-Methyl-13-(3-methyl-1-benzofuran-2-yl)-17-thia-14-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene;14-methyl-13-(3-methyl-1-benzothiophen-2-yl)-17-thia-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;14-methyl-13-(3-methyl-1-benzothiophen-2-yl)-17-thia-14-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene;15-methyl-14-(2-methylphenyl)-17-thia-15-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
CID 157071825
1-[10-([1]Benzofuro[3,2-c]pyridin-3-yl)anthracen-9-yl]-[1]benzofuro[2,3-c]pyridine;1-[4-[10-[4-([1]benzothiolo[2,3-c]pyridin-1-yl)phenyl]anthracen-9-yl]phenyl]-[1]benzofuro[2,3-c]pyridine;1-[4-[10-[4-([1]benzothiolo[3,2-c]pyridin-3-yl)phenyl]anthracen-9-yl]phenyl]-[1]benzothiolo[2,3-c]pyridine;1-phenanthren-9-yl-[1]benzothiolo[2,3-c]pyridine;1-pyren-4-yl-[1]benzothiolo[2,3-c]pyridine
CID 157132572
5,14-Dimethyl-15-(2-methylphenyl)-17-oxa-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;15-(2,4-dimethylphenyl)-14-methyl-17-oxa-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;14-methyl-13-(2-methyl-1-benzothiophen-3-yl)-17-thia-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;14-methyl-15-(2-methylphenyl)-17-oxa-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
CID 157136581
N,N-bis(4-naphthalen-1-ylphenyl)-4-(12-phenylnaphtho[1,2-b]indolizin-3-yl)aniline;N-[4-(12-dibenzofuran-3-ylnaphtho[1,2-b]indolizin-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-(12-dibenzothiophen-4-ylnaphtho[1,2-b]indolizin-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-[4-(12-phenylnaphtho[1,2-b]indolizin-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 157249721

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(5-methylfuran-2-yl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-(4-methylthiophen-2-yl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-(5-methylthiophen-2-yl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-naphthalen-2-yl-4-pyrrolo[3,2-c]pyridin-1-ylquinoline?
The IUPAC name of 3-fluoro-2-(5-methylfuran-2-yl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-(4-methylthiophen-2-yl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-(5-methylthiophen-2-yl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-naphthalen-2-yl-4-pyrrolo[3,2-c]pyridin-1-ylquinoline (CID 159649431) is 3-fluoro-2-(5-methylfuran-2-yl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-(4-methylthiophen-2-yl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-(5-methylthiophen-2-yl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-naphthalen-2-yl-4-pyrrolo[3,2-c]pyridin-1-ylquinoline.
What is the SMILES notation for 3-fluoro-2-(5-methylfuran-2-yl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-(4-methylthiophen-2-yl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-(5-methylthiophen-2-yl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-naphthalen-2-yl-4-pyrrolo[3,2-c]pyridin-1-ylquinoline?
The canonical SMILES for 3-fluoro-2-(5-methylfuran-2-yl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-(4-methylthiophen-2-yl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-(5-methylthiophen-2-yl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-naphthalen-2-yl-4-pyrrolo[3,2-c]pyridin-1-ylquinoline is Cc1ccc(-c2nc3ccccc3c(-n3ccc4cnccc43)c2F)o1.Cc1ccc(-c2nc3ccccc3c(-n3ccc4cnccc43)c2F)s1.Cc1csc(-c2nc3ccccc3c(-n3ccc4cnccc43)c2F)c1.Fc1c(-c2ccc3ccccc3c2)nc2ccccc2c1-n1ccc2cnccc21.
What is the InChIKey of 3-fluoro-2-(5-methylfuran-2-yl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-(4-methylthiophen-2-yl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-(5-methylthiophen-2-yl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-naphthalen-2-yl-4-pyrrolo[3,2-c]pyridin-1-ylquinoline?
The InChIKey is MRJLIJGBONISNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16FN3.C21H14FN3O.2C21H14FN3S/c27-24-25(19-10-9-17-5-1-2-6-18(17)15-19)29-22-8-4-3-7-21(22)26(24)30-14-12-20-16-28-13-11-23(20)30;1-13-6-7-18(26-13)20-19(22)21(15-4-2-3-5-16(15)24-20)25-11-9-14-12-23-10-8-17(14)25;1-13-10-18(26-12-13)20-19(22)21(15-4-2-3-5-16(15)24-20)25-9-7-14-11-23-8-6-17(14)25;1-13-6-7-18(26-13)20-19(22)21(15-4-2-3-5-16(15)24-20)25-11-9-14-12-23-10-8-17(14)25/h1-16H;3*2-12H,1H3.
What are the key properties of 3-fluoro-2-(5-methylfuran-2-yl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-(4-methylthiophen-2-yl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-(5-methylthiophen-2-yl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-naphthalen-2-yl-4-pyrrolo[3,2-c]pyridin-1-ylquinoline?
3-fluoro-2-(5-methylfuran-2-yl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-(4-methylthiophen-2-yl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-(5-methylthiophen-2-yl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-naphthalen-2-yl-4-pyrrolo[3,2-c]pyridin-1-ylquinoline has a molecular weight of 1451.65 g/mol, XLogP of 23.31, 8 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(5-methylfuran-2-yl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-(4-methylthiophen-2-yl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-(5-methylthiophen-2-yl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-naphthalen-2-yl-4-pyrrolo[3,2-c]pyridin-1-ylquinoline is sourced from PubChem (CID 159649431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).