5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-6,9-dihydrofuro[2,3-f]quinoline-3-carboxamide

C30H28FN3O3 — CID 135267893

IUPAC5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-6,9-dihydrofuro[2,3-f]quinoline-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2c3c(c(-c4cccc(C(=O)NC(C)(C)C)c4)cc12)NC=CC3
InChIInChI=1S/C30H28FN3O3/c1-30(2,3)34-28(35)19-8-5-7-18(15-19)22-16-23-24(29(36)32-4)26(17-10-12-20(31)13-11-17)37-27(23)21-9-6-14-33-25(21)22/h5-8,10-16,33H,9H2,1-4H3,(H,32,36)(H,34,35)
InChIKeyCBYWHYXLNTUNTP-UHFFFAOYSA-N
MW497.57 g/mol
LogP6.28
Rot. Bonds4

About 5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-6,9-dihydrofuro[2,3-f]quinoline-3-carboxamide

5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-6,9-dihydrofuro[2,3-f]quinoline-3-carboxamide (PubChem CID 135267893) has the molecular formula C30H28FN3O3 and a molecular weight of 497.57 g/mol. Its IUPAC name is 5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-6,9-dihydrofuro[2,3-f]quinoline-3-carboxamide.

Molecular Properties

Compound Name5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-6,9-dihydrofuro[2,3-f]quinoline-3-carboxamide
PubChem CID135267893
Molecular FormulaC30H28FN3O3
Molecular Weight497.57 g/mol
Exact Mass497.21
IUPAC Name5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-6,9-dihydrofuro[2,3-f]quinoline-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2c3c(c(-c4cccc(C(=O)NC(C)(C)C)c4)cc12)NC=CC3
InChIInChI=1S/C30H28FN3O3/c1-30(2,3)34-28(35)19-8-5-7-18(15-19)22-16-23-24(29(36)32-4)26(17-10-12-20(31)13-11-17)37-27(23)21-9-6-14-33-25(21)22/h5-8,10-16,33H,9H2,1-4H3,(H,32,36)(H,34,35)
InChIKeyCBYWHYXLNTUNTP-UHFFFAOYSA-N
XLogP6.28
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.57
LogP ≤ 56.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-7,8-dihydro-6H-furo[2,3-e]indole-3-carboxamide
CID 135267584
5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N,8-dimethyl-6-methylsulfonylfuro[2,3-e]indole-3-carboxamide
CID 118398795
5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-7-[(3E)-hexa-1,3,5-trien-3-yl]-N-methyl-6H-furo[2,3-e]indole-3-carboxamide
CID 144928435
tert-butyl 3-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]benzoate
CID 118384359
5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-6-methylsulfanylfuro[2,3-e]indole-3-carboxamide;ethane;2-(4-fluorophenyl)-N-methyl-6-methylsulfanyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide
CID 144928419
5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;2,2,2-trifluoroethanol
CID 161200005
5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;pyrrolidine
CID 162107160
5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;3-methylphenol
CID 157390613
19-N-tert-butyl-6-(4-fluorophenyl)-5-N-methyl-12,15-dioxo-7-oxa-11,16-diazatetracyclo[15.3.1.02,10.04,8]henicosa-1(20),2(10),3,5,8,17(21),18-heptaene-5,19-dicarboxamide
CID 118548871
[5-[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoyl]phenyl]-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl]-hydroxyazanium
CID 145142073
6-(cyclopropylsulfinylamino)-2-(4-fluorophenyl)-N-methyl-5-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]-1-benzofuran-3-carboxamide
CID 143956932
6-chloro-5-[3-[[1,3-difluoro-2-(fluoromethyl)propan-2-yl]carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide
CID 118896101

Frequently Asked Questions

What is the IUPAC name of 5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-6,9-dihydrofuro[2,3-f]quinoline-3-carboxamide?
The IUPAC name of 5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-6,9-dihydrofuro[2,3-f]quinoline-3-carboxamide (CID 135267893) is 5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-6,9-dihydrofuro[2,3-f]quinoline-3-carboxamide.
What is the SMILES notation for 5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-6,9-dihydrofuro[2,3-f]quinoline-3-carboxamide?
The canonical SMILES for 5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-6,9-dihydrofuro[2,3-f]quinoline-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)oc2c3c(c(-c4cccc(C(=O)NC(C)(C)C)c4)cc12)NC=CC3.
What is the InChIKey of 5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-6,9-dihydrofuro[2,3-f]quinoline-3-carboxamide?
The InChIKey is CBYWHYXLNTUNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28FN3O3/c1-30(2,3)34-28(35)19-8-5-7-18(15-19)22-16-23-24(29(36)32-4)26(17-10-12-20(31)13-11-17)37-27(23)21-9-6-14-33-25(21)22/h5-8,10-16,33H,9H2,1-4H3,(H,32,36)(H,34,35).
What are the key properties of 5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-6,9-dihydrofuro[2,3-f]quinoline-3-carboxamide?
5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-6,9-dihydrofuro[2,3-f]quinoline-3-carboxamide has a molecular weight of 497.57 g/mol, XLogP of 6.28, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-6,9-dihydrofuro[2,3-f]quinoline-3-carboxamide is sourced from PubChem (CID 135267893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).