2-[(3R)-1-[2-(azetidin-1-yl)-2-oxoethyl]pyrrolidin-3-yl]-N-(2-hydroxyethyl)-N-methylquinoline-4-carboxamide

C22H28N4O3 — CID 92638738

IUPAC2-[(3R)-1-[2-(azetidin-1-yl)-2-oxoethyl]pyrrolidin-3-yl]-N-(2-hydroxyethyl)-N-methylquinoline-4-carboxamide
SMILESCN(CCO)C(=O)c1cc([C@@H]2CCN(CC(=O)N3CCC3)C2)nc2ccccc12
InChIInChI=1S/C22H28N4O3/c1-24(11-12-27)22(29)18-13-20(23-19-6-3-2-5-17(18)19)16-7-10-25(14-16)15-21(28)26-8-4-9-26/h2-3,5-6,13,16,27H,4,7-12,14-15H2,1H3/t16-/m1/s1
InChIKeyJIQYSQNAVHSIMM-MRXNPFEDSA-N
MW396.49 g/mol
LogP1.32
Rot. Bonds6

About 2-[(3R)-1-[2-(azetidin-1-yl)-2-oxoethyl]pyrrolidin-3-yl]-N-(2-hydroxyethyl)-N-methylquinoline-4-carboxamide

2-[(3R)-1-[2-(azetidin-1-yl)-2-oxoethyl]pyrrolidin-3-yl]-N-(2-hydroxyethyl)-N-methylquinoline-4-carboxamide (PubChem CID 92638738) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is 2-[(3R)-1-[2-(azetidin-1-yl)-2-oxoethyl]pyrrolidin-3-yl]-N-(2-hydroxyethyl)-N-methylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-[(3R)-1-[2-(azetidin-1-yl)-2-oxoethyl]pyrrolidin-3-yl]-N-(2-hydroxyethyl)-N-methylquinoline-4-carboxamide
PubChem CID92638738
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Name2-[(3R)-1-[2-(azetidin-1-yl)-2-oxoethyl]pyrrolidin-3-yl]-N-(2-hydroxyethyl)-N-methylquinoline-4-carboxamide
SMILESCN(CCO)C(=O)c1cc([C@@H]2CCN(CC(=O)N3CCC3)C2)nc2ccccc12
InChIInChI=1S/C22H28N4O3/c1-24(11-12-27)22(29)18-13-20(23-19-6-3-2-5-17(18)19)16-7-10-25(14-16)15-21(28)26-8-4-9-26/h2-3,5-6,13,16,27H,4,7-12,14-15H2,1H3/t16-/m1/s1
InChIKeyJIQYSQNAVHSIMM-MRXNPFEDSA-N
XLogP1.32
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(3R)-1-[2-(azetidin-1-yl)-2-oxoethyl]pyrrolidin-3-yl]-N-(2-hydroxyethyl)-N-methylquinoline-4-carboxamide 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

N-(2-hydroxyethyl)-N-methyl-2-[(2S)-4-(2-piperidin-1-ylacetyl)morpholin-2-yl]quinoline-4-carboxamide
CID 92638296
N,N-dimethyl-2-[(3S)-1-(3-phenylpropanoyl)pyrrolidin-3-yl]quinoline-4-carboxamide
CID 92636928
2-[1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-N,N-dimethylquinoline-4-carboxamide
CID 110251578
2-[(3S)-1-[2-(4-methoxyphenyl)acetyl]pyrrolidin-3-yl]-N,N-dimethylquinoline-4-carboxamide
CID 92636960
N-(2-hydroxyethyl)-N-methyl-2-[(2R)-morpholin-2-yl]quinoline-4-carboxamide
CID 124994060
1-[3-[4-(morpholine-4-carbonyl)quinolin-2-yl]pyrrolidin-1-yl]-2-morpholin-4-ylethanone
CID 110251602
1-[(3R)-3-[4-(morpholine-4-carbonyl)quinolin-2-yl]pyrrolidin-1-yl]-2-morpholin-4-ylethanone
CID 92638688
N-(2-hydroxyethyl)-N-methyl-2-[(2R)-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]quinoline-4-carboxamide
CID 92638455
N-(2-hydroxyethyl)-2-[(2S)-4-[(2-methoxy-3-methylphenyl)methyl]morpholin-2-yl]-N-methylquinoline-4-carboxamide
CID 92639051
2-[(3R)-1-(2-phenoxyacetyl)pyrrolidin-3-yl]quinoline-4-carboxamide
CID 92636929
2-[(3S)-1-(3-phenylpropanoyl)pyrrolidin-3-yl]quinoline-4-carboxamide
CID 92636924
2-[(3S)-1-[3-(4-methylpiperidin-1-yl)propanoyl]pyrrolidin-3-yl]-N-propan-2-ylquinoline-4-carboxamide
CID 92638645

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-[2-(azetidin-1-yl)-2-oxoethyl]pyrrolidin-3-yl]-N-(2-hydroxyethyl)-N-methylquinoline-4-carboxamide?
The IUPAC name of 2-[(3R)-1-[2-(azetidin-1-yl)-2-oxoethyl]pyrrolidin-3-yl]-N-(2-hydroxyethyl)-N-methylquinoline-4-carboxamide (CID 92638738) is 2-[(3R)-1-[2-(azetidin-1-yl)-2-oxoethyl]pyrrolidin-3-yl]-N-(2-hydroxyethyl)-N-methylquinoline-4-carboxamide.
What is the SMILES notation for 2-[(3R)-1-[2-(azetidin-1-yl)-2-oxoethyl]pyrrolidin-3-yl]-N-(2-hydroxyethyl)-N-methylquinoline-4-carboxamide?
The canonical SMILES for 2-[(3R)-1-[2-(azetidin-1-yl)-2-oxoethyl]pyrrolidin-3-yl]-N-(2-hydroxyethyl)-N-methylquinoline-4-carboxamide is CN(CCO)C(=O)c1cc([C@@H]2CCN(CC(=O)N3CCC3)C2)nc2ccccc12.
What is the InChIKey of 2-[(3R)-1-[2-(azetidin-1-yl)-2-oxoethyl]pyrrolidin-3-yl]-N-(2-hydroxyethyl)-N-methylquinoline-4-carboxamide?
The InChIKey is JIQYSQNAVHSIMM-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-24(11-12-27)22(29)18-13-20(23-19-6-3-2-5-17(18)19)16-7-10-25(14-16)15-21(28)26-8-4-9-26/h2-3,5-6,13,16,27H,4,7-12,14-15H2,1H3/t16-/m1/s1.
What are the key properties of 2-[(3R)-1-[2-(azetidin-1-yl)-2-oxoethyl]pyrrolidin-3-yl]-N-(2-hydroxyethyl)-N-methylquinoline-4-carboxamide?
2-[(3R)-1-[2-(azetidin-1-yl)-2-oxoethyl]pyrrolidin-3-yl]-N-(2-hydroxyethyl)-N-methylquinoline-4-carboxamide has a molecular weight of 396.49 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-[2-(azetidin-1-yl)-2-oxoethyl]pyrrolidin-3-yl]-N-(2-hydroxyethyl)-N-methylquinoline-4-carboxamide is sourced from PubChem (CID 92638738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).