2-(3-chlorophenyl)-4-ethoxy-N-[(2R)-4-phenylbutan-2-yl]quinoline-6-carboxamide

C28H27ClN2O2 — CID 92867750

IUPAC2-(3-chlorophenyl)-4-ethoxy-N-[(2R)-4-phenylbutan-2-yl]quinoline-6-carboxamide
SMILESCCOc1cc(-c2cccc(Cl)c2)nc2ccc(C(=O)N[C@H](C)CCc3ccccc3)cc12
InChIInChI=1S/C28H27ClN2O2/c1-3-33-27-18-26(21-10-7-11-23(29)16-21)31-25-15-14-22(17-24(25)27)28(32)30-19(2)12-13-20-8-5-4-6-9-20/h4-11,14-19H,3,12-13H2,1-2H3,(H,30,32)/t19-/m1/s1
InChIKeyFKYGMFBTEANOHE-LJQANCHMSA-N
MW458.99 g/mol
LogP6.70
Rot. Bonds8

About 2-(3-chlorophenyl)-4-ethoxy-N-[(2R)-4-phenylbutan-2-yl]quinoline-6-carboxamide

2-(3-chlorophenyl)-4-ethoxy-N-[(2R)-4-phenylbutan-2-yl]quinoline-6-carboxamide (PubChem CID 92867750) has the molecular formula C28H27ClN2O2 and a molecular weight of 458.99 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-4-ethoxy-N-[(2R)-4-phenylbutan-2-yl]quinoline-6-carboxamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-4-ethoxy-N-[(2R)-4-phenylbutan-2-yl]quinoline-6-carboxamide
PubChem CID92867750
Molecular FormulaC28H27ClN2O2
Molecular Weight458.99 g/mol
Exact Mass458.18
IUPAC Name2-(3-chlorophenyl)-4-ethoxy-N-[(2R)-4-phenylbutan-2-yl]quinoline-6-carboxamide
SMILESCCOc1cc(-c2cccc(Cl)c2)nc2ccc(C(=O)N[C@H](C)CCc3ccccc3)cc12
InChIInChI=1S/C28H27ClN2O2/c1-3-33-27-18-26(21-10-7-11-23(29)16-21)31-25-15-14-22(17-24(25)27)28(32)30-19(2)12-13-20-8-5-4-6-9-20/h4-11,14-19H,3,12-13H2,1-2H3,(H,30,32)/t19-/m1/s1
InChIKeyFKYGMFBTEANOHE-LJQANCHMSA-N
XLogP6.70
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.99
LogP ≤ 56.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-chlorophenyl)-4-ethoxy-N-[(2R)-4-phenylbutan-2-yl]quinoline-6-carboxamide with MolForge

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Related Compounds

3-chloro-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 808043
3,4-diethoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 798797
[2-(3-chlorophenyl)-4-ethoxyquinolin-6-yl]-piperidin-1-ylmethanone
CID 46318969
4-ethoxy-3-methoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 1243127
2-(3-chlorophenyl)-4-ethoxy-N-(3-morpholin-4-ylpropyl)quinoline-6-carboxamide
CID 46318912
4-ethoxy-N-(2-ethylphenyl)-2-(3-methoxyphenyl)quinoline-6-carboxamide
CID 46318886
ethyl 4-ethoxy-2-phenylquinoline-6-carboxylate
CID 22425101
4-ethoxy-N,2-bis(3-methoxyphenyl)quinoline-6-carboxamide
CID 46318881
1-[2-(3-chlorophenyl)-4-ethoxyquinolin-6-yl]-3-(3-fluoro-4-methylphenyl)urea
CID 46385124
3,5-diethoxy-N-(4-phenylbutan-2-yl)benzamide
CID 46853566
4-(6-chloro-1H-benzimidazol-2-yl)-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 100580774
3-bromo-N-(4-phenylbutan-2-yl)benzamide
CID 2900387

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-4-ethoxy-N-[(2R)-4-phenylbutan-2-yl]quinoline-6-carboxamide?
The IUPAC name of 2-(3-chlorophenyl)-4-ethoxy-N-[(2R)-4-phenylbutan-2-yl]quinoline-6-carboxamide (CID 92867750) is 2-(3-chlorophenyl)-4-ethoxy-N-[(2R)-4-phenylbutan-2-yl]quinoline-6-carboxamide.
What is the SMILES notation for 2-(3-chlorophenyl)-4-ethoxy-N-[(2R)-4-phenylbutan-2-yl]quinoline-6-carboxamide?
The canonical SMILES for 2-(3-chlorophenyl)-4-ethoxy-N-[(2R)-4-phenylbutan-2-yl]quinoline-6-carboxamide is CCOc1cc(-c2cccc(Cl)c2)nc2ccc(C(=O)N[C@H](C)CCc3ccccc3)cc12.
What is the InChIKey of 2-(3-chlorophenyl)-4-ethoxy-N-[(2R)-4-phenylbutan-2-yl]quinoline-6-carboxamide?
The InChIKey is FKYGMFBTEANOHE-LJQANCHMSA-N. The full InChI is InChI=1S/C28H27ClN2O2/c1-3-33-27-18-26(21-10-7-11-23(29)16-21)31-25-15-14-22(17-24(25)27)28(32)30-19(2)12-13-20-8-5-4-6-9-20/h4-11,14-19H,3,12-13H2,1-2H3,(H,30,32)/t19-/m1/s1.
What are the key properties of 2-(3-chlorophenyl)-4-ethoxy-N-[(2R)-4-phenylbutan-2-yl]quinoline-6-carboxamide?
2-(3-chlorophenyl)-4-ethoxy-N-[(2R)-4-phenylbutan-2-yl]quinoline-6-carboxamide has a molecular weight of 458.99 g/mol, XLogP of 6.70, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-4-ethoxy-N-[(2R)-4-phenylbutan-2-yl]quinoline-6-carboxamide is sourced from PubChem (CID 92867750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).