(2R)-N-(4-cyanophenyl)-2-[4-(6-fluoroquinolin-4-yl)phenyl]-3-(2-methoxyphenyl)propanamide

C32H24FN3O2 — CID 175090494

IUPAC(2R)-N-(4-cyanophenyl)-2-[4-(6-fluoroquinolin-4-yl)phenyl]-3-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1C[C@@H](C(=O)Nc1ccc(C#N)cc1)c1ccc(-c2ccnc3ccc(F)cc23)cc1
InChIInChI=1S/C32H24FN3O2/c1-38-31-5-3-2-4-24(31)18-28(32(37)36-26-13-6-21(20-34)7-14-26)23-10-8-22(9-11-23)27-16-17-35-30-15-12-25(33)19-29(27)30/h2-17,19,28H,18H2,1H3,(H,36,37)/t28-/m1/s1
InChIKeyYAEJTUFRNOAIAK-MUUNZHRXSA-N
MW501.56 g/mol
LogP6.89
Rot. Bonds7

About (2R)-N-(4-cyanophenyl)-2-[4-(6-fluoroquinolin-4-yl)phenyl]-3-(2-methoxyphenyl)propanamide

(2R)-N-(4-cyanophenyl)-2-[4-(6-fluoroquinolin-4-yl)phenyl]-3-(2-methoxyphenyl)propanamide (PubChem CID 175090494) has the molecular formula C32H24FN3O2 and a molecular weight of 501.56 g/mol. Its IUPAC name is (2R)-N-(4-cyanophenyl)-2-[4-(6-fluoroquinolin-4-yl)phenyl]-3-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name(2R)-N-(4-cyanophenyl)-2-[4-(6-fluoroquinolin-4-yl)phenyl]-3-(2-methoxyphenyl)propanamide
PubChem CID175090494
Molecular FormulaC32H24FN3O2
Molecular Weight501.56 g/mol
Exact Mass501.19
IUPAC Name(2R)-N-(4-cyanophenyl)-2-[4-(6-fluoroquinolin-4-yl)phenyl]-3-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1C[C@@H](C(=O)Nc1ccc(C#N)cc1)c1ccc(-c2ccnc3ccc(F)cc23)cc1
InChIInChI=1S/C32H24FN3O2/c1-38-31-5-3-2-4-24(31)18-28(32(37)36-26-13-6-21(20-34)7-14-26)23-10-8-22(9-11-23)27-16-17-35-30-15-12-25(33)19-29(27)30/h2-17,19,28H,18H2,1H3,(H,36,37)/t28-/m1/s1
InChIKeyYAEJTUFRNOAIAK-MUUNZHRXSA-N
XLogP6.89
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.56
LogP ≤ 56.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-N-(4-cyanophenyl)-2-[4-(6-fluoroquinolin-4-yl)phenyl]-3-(2-methoxyphenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)phenyl]-3-(2-methoxyphenyl)propanethioamide
CID 175090031
(2R)-2-[4-(6-fluoroquinolin-4-yl)phenyl]-3-(2-methoxyphenyl)-N-(oxan-4-yl)propanamide
CID 175090934
2-[4-[3-(4-cyanoanilino)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-3-oxopropyl]phenyl]propanoic acid
CID 121333246
N-(3-cyanophenyl)-2-(4-fluorophenyl)-3-pyridin-2-ylpropanamide
CID 110296389
N-(4-cyanophenyl)-2-phenylbutanamide
CID 4632444
N-(cyanomethoxy)-3-[1-(4-cyanophenyl)-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-8-yl]-2-(4-fluorophenyl)propanamide
CID 87523775
2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(4-cyanophenyl)acetamide
CID 113164626
4-(4-cyanoanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109212035
3-(2-methoxyphenyl)-N-(4-propan-2-ylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3453758
(2S)-2-(1,3-benzothiazol-2-yl)-N-(4-ethylphenyl)-3-(2-methoxyphenyl)propanamide
CID 95182780
1-(4-cyanophenyl)-3-[4-(6-fluoroquinolin-4-yl)cyclohexyl]urea
CID 121332539
(Z)-2-cyano-N-(4-fluorophenyl)-3-[2-(2-methoxyphenyl)ethylamino]prop-2-enamide
CID 108852081

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-cyanophenyl)-2-[4-(6-fluoroquinolin-4-yl)phenyl]-3-(2-methoxyphenyl)propanamide?
The IUPAC name of (2R)-N-(4-cyanophenyl)-2-[4-(6-fluoroquinolin-4-yl)phenyl]-3-(2-methoxyphenyl)propanamide (CID 175090494) is (2R)-N-(4-cyanophenyl)-2-[4-(6-fluoroquinolin-4-yl)phenyl]-3-(2-methoxyphenyl)propanamide.
What is the SMILES notation for (2R)-N-(4-cyanophenyl)-2-[4-(6-fluoroquinolin-4-yl)phenyl]-3-(2-methoxyphenyl)propanamide?
The canonical SMILES for (2R)-N-(4-cyanophenyl)-2-[4-(6-fluoroquinolin-4-yl)phenyl]-3-(2-methoxyphenyl)propanamide is COc1ccccc1C[C@@H](C(=O)Nc1ccc(C#N)cc1)c1ccc(-c2ccnc3ccc(F)cc23)cc1.
What is the InChIKey of (2R)-N-(4-cyanophenyl)-2-[4-(6-fluoroquinolin-4-yl)phenyl]-3-(2-methoxyphenyl)propanamide?
The InChIKey is YAEJTUFRNOAIAK-MUUNZHRXSA-N. The full InChI is InChI=1S/C32H24FN3O2/c1-38-31-5-3-2-4-24(31)18-28(32(37)36-26-13-6-21(20-34)7-14-26)23-10-8-22(9-11-23)27-16-17-35-30-15-12-25(33)19-29(27)30/h2-17,19,28H,18H2,1H3,(H,36,37)/t28-/m1/s1.
What are the key properties of (2R)-N-(4-cyanophenyl)-2-[4-(6-fluoroquinolin-4-yl)phenyl]-3-(2-methoxyphenyl)propanamide?
(2R)-N-(4-cyanophenyl)-2-[4-(6-fluoroquinolin-4-yl)phenyl]-3-(2-methoxyphenyl)propanamide has a molecular weight of 501.56 g/mol, XLogP of 6.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-cyanophenyl)-2-[4-(6-fluoroquinolin-4-yl)phenyl]-3-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 175090494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).