6-(5-chlorothiophen-2-yl)-2-(2-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazoline;2-(2-fluorophenyl)-N-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine

C47H30ClF2N9S — CID 158050767

IUPAC6-(5-chlorothiophen-2-yl)-2-(2-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazoline;2-(2-fluorophenyl)-N-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine
SMILESCNc1ccc2nc(-c3ccccc3F)nc(-n3ccc4cnccc43)c2c1.Fc1ccccc1-c1nc(-n2ccc3cnccc32)c2cc(-c3ccc(Cl)s3)ccc2n1
InChIInChI=1S/C25H14ClFN4S.C22H16FN5/c26-23-8-7-22(32-23)15-5-6-20-18(13-15)25(31-12-10-16-14-28-11-9-21(16)31)30-24(29-20)17-3-1-2-4-19(17)27;1-24-15-6-7-19-17(12-15)22(28-11-9-14-13-25-10-8-20(14)28)27-21(26-19)16-4-2-3-5-18(16)23/h1-14H;2-13,24H,1H3
InChIKeyFJLKQBXDNKKWFN-UHFFFAOYSA-N
MW826.34 g/mol
LogP11.97
Rot. Bonds6

About 6-(5-chlorothiophen-2-yl)-2-(2-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazoline;2-(2-fluorophenyl)-N-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine

6-(5-chlorothiophen-2-yl)-2-(2-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazoline;2-(2-fluorophenyl)-N-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine (PubChem CID 158050767) has the molecular formula C47H30ClF2N9S and a molecular weight of 826.34 g/mol. Its IUPAC name is 6-(5-chlorothiophen-2-yl)-2-(2-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazoline;2-(2-fluorophenyl)-N-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine.

Molecular Properties

Compound Name6-(5-chlorothiophen-2-yl)-2-(2-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazoline;2-(2-fluorophenyl)-N-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine
PubChem CID158050767
Molecular FormulaC47H30ClF2N9S
Molecular Weight826.34 g/mol
Exact Mass825.20
IUPAC Name6-(5-chlorothiophen-2-yl)-2-(2-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazoline;2-(2-fluorophenyl)-N-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine
SMILESCNc1ccc2nc(-c3ccccc3F)nc(-n3ccc4cnccc43)c2c1.Fc1ccccc1-c1nc(-n2ccc3cnccc32)c2cc(-c3ccc(Cl)s3)ccc2n1
InChIInChI=1S/C25H14ClFN4S.C22H16FN5/c26-23-8-7-22(32-23)15-5-6-20-18(13-15)25(31-12-10-16-14-28-11-9-21(16)31)30-24(29-20)17-3-1-2-4-19(17)27;1-24-15-6-7-19-17(12-15)22(28-11-9-14-13-25-10-8-20(14)28)27-21(26-19)16-4-2-3-5-18(16)23/h1-14H;2-13,24H,1H3
InChIKeyFJLKQBXDNKKWFN-UHFFFAOYSA-N
XLogP11.97
TPSA99.23 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500826.34
LogP ≤ 511.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 6-(5-chlorothiophen-2-yl)-2-(2-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazoline;2-(2-fluorophenyl)-N-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine with MolForge

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Related Compounds

6-(5-Chlorothiophen-2-yl)-2-(2-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazoline
CID 10321852
N-(3-chloro-4-fluorophenyl)-2-pyridin-3-yl-6-thiophen-2-ylquinazolin-4-amine
CID 71274188
N-(3-chloro-4-fluorophenyl)-2-pyridin-3-yl-6-thiophen-3-ylquinazolin-4-amine
CID 71274191
N-[2-(5-fluoro-2,7-dimethyl-1-benzothiophen-3-yl)ethyl]-6-[4-[2-(5-fluoro-2,7-dimethyl-1-benzothiophen-3-yl)ethyl-[6-(1H-indol-5-yl)pyrimidin-4-yl]amino]phenyl]pyrimidin-4-amine
CID 135379986
CID 158493308
CID 158493308
6-(5-Chlorothiophen-2-yl)-2-(2-fluorophenyl)-4-(2-methylpyrrol-1-yl)quinazoline
CID 142940546
7-chloro-2-[5-(1H-indol-5-yl)thiophen-2-yl]-N-[2-(1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-3-yl)ethyl]quinazolin-4-amine
CID 68861164
7-chloro-N-[2-(1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-3-yl)ethyl]-2-(5-quinolin-8-ylthiophen-2-yl)quinazolin-4-amine
CID 68863385
9-[9-(4,6-Dipyridin-3-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-20-thia-4,9-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene
CID 89862213
6-(5-chlorothiophen-2-yl)-2-pyridin-3-yl-N-(pyridin-2-ylmethyl)quinazolin-4-amine
CID 117658141
12-(6-Dibenzothiophen-4-yl-2-pyridinyl)-5-[6-(4,7-phenanthrolin-2-yl)-2-pyridinyl]indolo[3,2-c]carbazole
CID 117862750
12-(6-Dibenzothiophen-2-yl-2-pyridinyl)-5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)quinazolin-2-yl]indolo[3,2-c]carbazole
CID 117862864

Frequently Asked Questions

What is the IUPAC name of 6-(5-chlorothiophen-2-yl)-2-(2-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazoline;2-(2-fluorophenyl)-N-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine?
The IUPAC name of 6-(5-chlorothiophen-2-yl)-2-(2-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazoline;2-(2-fluorophenyl)-N-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine (CID 158050767) is 6-(5-chlorothiophen-2-yl)-2-(2-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazoline;2-(2-fluorophenyl)-N-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine.
What is the SMILES notation for 6-(5-chlorothiophen-2-yl)-2-(2-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazoline;2-(2-fluorophenyl)-N-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine?
The canonical SMILES for 6-(5-chlorothiophen-2-yl)-2-(2-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazoline;2-(2-fluorophenyl)-N-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine is CNc1ccc2nc(-c3ccccc3F)nc(-n3ccc4cnccc43)c2c1.Fc1ccccc1-c1nc(-n2ccc3cnccc32)c2cc(-c3ccc(Cl)s3)ccc2n1.
What is the InChIKey of 6-(5-chlorothiophen-2-yl)-2-(2-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazoline;2-(2-fluorophenyl)-N-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine?
The InChIKey is FJLKQBXDNKKWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H14ClFN4S.C22H16FN5/c26-23-8-7-22(32-23)15-5-6-20-18(13-15)25(31-12-10-16-14-28-11-9-21(16)31)30-24(29-20)17-3-1-2-4-19(17)27;1-24-15-6-7-19-17(12-15)22(28-11-9-14-13-25-10-8-20(14)28)27-21(26-19)16-4-2-3-5-18(16)23/h1-14H;2-13,24H,1H3.
What are the key properties of 6-(5-chlorothiophen-2-yl)-2-(2-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazoline;2-(2-fluorophenyl)-N-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine?
6-(5-chlorothiophen-2-yl)-2-(2-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazoline;2-(2-fluorophenyl)-N-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine has a molecular weight of 826.34 g/mol, XLogP of 11.97, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chlorothiophen-2-yl)-2-(2-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazoline;2-(2-fluorophenyl)-N-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine is sourced from PubChem (CID 158050767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).