(3R,4S)-4-(9-ethylcarbazol-3-yl)-N-(4-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide

C31H28FN3O2 — CID 7029689

IUPAC(3R,4S)-4-(9-ethylcarbazol-3-yl)-N-(4-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide
SMILESCCn1c2ccccc2c2cc([C@H]3C4=C(CCCC4=O)N=C(C)[C@@H]3C(=O)Nc3ccc(F)cc3)ccc21
InChIInChI=1S/C31H28FN3O2/c1-3-35-25-9-5-4-7-22(25)23-17-19(11-16-26(23)35)29-28(31(37)34-21-14-12-20(32)13-15-21)18(2)33-24-8-6-10-27(36)30(24)29/h4-5,7,9,11-17,28-29H,3,6,8,10H2,1-2H3,(H,34,37)/t28-,29+/m0/s1
InChIKeyMCJOJFBGYVOFBK-URLMMPGGSA-N
MW493.58 g/mol
LogP6.77
Rot. Bonds4

About (3R,4S)-4-(9-ethylcarbazol-3-yl)-N-(4-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide

(3R,4S)-4-(9-ethylcarbazol-3-yl)-N-(4-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide (PubChem CID 7029689) has the molecular formula C31H28FN3O2 and a molecular weight of 493.58 g/mol. Its IUPAC name is (3R,4S)-4-(9-ethylcarbazol-3-yl)-N-(4-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide.

Molecular Properties

Compound Name(3R,4S)-4-(9-ethylcarbazol-3-yl)-N-(4-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide
PubChem CID7029689
Molecular FormulaC31H28FN3O2
Molecular Weight493.58 g/mol
Exact Mass493.22
IUPAC Name(3R,4S)-4-(9-ethylcarbazol-3-yl)-N-(4-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide
SMILESCCn1c2ccccc2c2cc([C@H]3C4=C(CCCC4=O)N=C(C)[C@@H]3C(=O)Nc3ccc(F)cc3)ccc21
InChIInChI=1S/C31H28FN3O2/c1-3-35-25-9-5-4-7-22(25)23-17-19(11-16-26(23)35)29-28(31(37)34-21-14-12-20(32)13-15-21)18(2)33-24-8-6-10-27(36)30(24)29/h4-5,7,9,11-17,28-29H,3,6,8,10H2,1-2H3,(H,34,37)/t28-,29+/m0/s1
InChIKeyMCJOJFBGYVOFBK-URLMMPGGSA-N
XLogP6.77
TPSA63.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.58
LogP ≤ 56.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R,4S)-4-(9-ethylcarbazol-3-yl)-N-(4-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide with MolForge

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Related Compounds

(4R)-N-(4-fluorophenyl)-2-methyl-5-oxo-4-pyridin-4-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide
CID 6981097
(4R)-4-(4-fluorophenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide
CID 6970012
(4S)-4-(4-fluorophenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide
CID 6970013
(4R)-4-(4-hydroxyphenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide
CID 7447416
2-phenylethyl (4R)-4-(4-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 6967676
trans-(1S,2S)-1-N,2-N-bis(9-ethylcarbazol-3-yl)-3-methylidenecyclopropane-1,2-dicarboxamide
CID 2321929
2-methoxyethyl (4R)-4-(9-ethylcarbazol-3-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 51419651
(4S)-4-(2-fluorophenyl)-N-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide
CID 7447331
(4R)-4-(1,3-benzodioxol-5-yl)-2-methyl-N-(5-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide
CID 7494591
methyl (3R,4S)-4-[4-(diethylamino)phenyl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 7313770
2-propoxyethyl (4S)-4-(3,4-difluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 7272481
(2S)-N-(9-ethylcarbazol-3-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119262851

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-(9-ethylcarbazol-3-yl)-N-(4-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide?
The IUPAC name of (3R,4S)-4-(9-ethylcarbazol-3-yl)-N-(4-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide (CID 7029689) is (3R,4S)-4-(9-ethylcarbazol-3-yl)-N-(4-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide.
What is the SMILES notation for (3R,4S)-4-(9-ethylcarbazol-3-yl)-N-(4-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide?
The canonical SMILES for (3R,4S)-4-(9-ethylcarbazol-3-yl)-N-(4-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide is CCn1c2ccccc2c2cc([C@H]3C4=C(CCCC4=O)N=C(C)[C@@H]3C(=O)Nc3ccc(F)cc3)ccc21.
What is the InChIKey of (3R,4S)-4-(9-ethylcarbazol-3-yl)-N-(4-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide?
The InChIKey is MCJOJFBGYVOFBK-URLMMPGGSA-N. The full InChI is InChI=1S/C31H28FN3O2/c1-3-35-25-9-5-4-7-22(25)23-17-19(11-16-26(23)35)29-28(31(37)34-21-14-12-20(32)13-15-21)18(2)33-24-8-6-10-27(36)30(24)29/h4-5,7,9,11-17,28-29H,3,6,8,10H2,1-2H3,(H,34,37)/t28-,29+/m0/s1.
What are the key properties of (3R,4S)-4-(9-ethylcarbazol-3-yl)-N-(4-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide?
(3R,4S)-4-(9-ethylcarbazol-3-yl)-N-(4-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide has a molecular weight of 493.58 g/mol, XLogP of 6.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-(9-ethylcarbazol-3-yl)-N-(4-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide is sourced from PubChem (CID 7029689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).