(5R)-5-(4-methylanilino)-2-oxo-N-propan-2-yl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

C20H25N3O2 — CID 41042316

IUPAC(5R)-5-(4-methylanilino)-2-oxo-N-propan-2-yl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCc1ccc(N[C@@H]2CCCc3[nH]c(=O)c(C(=O)NC(C)C)cc32)cc1
InChIInChI=1S/C20H25N3O2/c1-12(2)21-19(24)16-11-15-17(5-4-6-18(15)23-20(16)25)22-14-9-7-13(3)8-10-14/h7-12,17,22H,4-6H2,1-3H3,(H,21,24)(H,23,25)/t17-/m1/s1
InChIKeyCIAQJRAAUYGFEO-QGZVFWFLSA-N
MW339.44 g/mol
LogP3.31
Rot. Bonds4

About (5R)-5-(4-methylanilino)-2-oxo-N-propan-2-yl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

(5R)-5-(4-methylanilino)-2-oxo-N-propan-2-yl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 41042316) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is (5R)-5-(4-methylanilino)-2-oxo-N-propan-2-yl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name(5R)-5-(4-methylanilino)-2-oxo-N-propan-2-yl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID41042316
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name(5R)-5-(4-methylanilino)-2-oxo-N-propan-2-yl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCc1ccc(N[C@@H]2CCCc3[nH]c(=O)c(C(=O)NC(C)C)cc32)cc1
InChIInChI=1S/C20H25N3O2/c1-12(2)21-19(24)16-11-15-17(5-4-6-18(15)23-20(16)25)22-14-9-7-13(3)8-10-14/h7-12,17,22H,4-6H2,1-3H3,(H,21,24)(H,23,25)/t17-/m1/s1
InChIKeyCIAQJRAAUYGFEO-QGZVFWFLSA-N
XLogP3.31
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (5R)-5-(4-methylanilino)-2-oxo-N-propan-2-yl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(4-methylanilino)-2-oxo-N-propan-2-yl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of (5R)-5-(4-methylanilino)-2-oxo-N-propan-2-yl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 41042316) is (5R)-5-(4-methylanilino)-2-oxo-N-propan-2-yl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for (5R)-5-(4-methylanilino)-2-oxo-N-propan-2-yl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for (5R)-5-(4-methylanilino)-2-oxo-N-propan-2-yl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is Cc1ccc(N[C@@H]2CCCc3[nH]c(=O)c(C(=O)NC(C)C)cc32)cc1.
What is the InChIKey of (5R)-5-(4-methylanilino)-2-oxo-N-propan-2-yl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is CIAQJRAAUYGFEO-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-12(2)21-19(24)16-11-15-17(5-4-6-18(15)23-20(16)25)22-14-9-7-13(3)8-10-14/h7-12,17,22H,4-6H2,1-3H3,(H,21,24)(H,23,25)/t17-/m1/s1.
What are the key properties of (5R)-5-(4-methylanilino)-2-oxo-N-propan-2-yl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
(5R)-5-(4-methylanilino)-2-oxo-N-propan-2-yl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 3.31, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(4-methylanilino)-2-oxo-N-propan-2-yl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 41042316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).