(2S)-N-(2-methylquinolin-5-yl)-2-propan-2-yl-2,5-dihydropyrrole-1-carboxamide

C18H21N3O — CID 125161337

IUPAC(2S)-N-(2-methylquinolin-5-yl)-2-propan-2-yl-2,5-dihydropyrrole-1-carboxamide
SMILESCc1ccc2c(NC(=O)N3CC=C[C@@H]3C(C)C)cccc2n1
InChIInChI=1S/C18H21N3O/c1-12(2)17-8-5-11-21(17)18(22)20-16-7-4-6-15-14(16)10-9-13(3)19-15/h4-10,12,17H,11H2,1-3H3,(H,20,22)/t17-/m1/s1
InChIKeyHBFNKXZYROZXAS-QGZVFWFLSA-N
MW295.39 g/mol
LogP3.97
Rot. Bonds2

About (2S)-N-(2-methylquinolin-5-yl)-2-propan-2-yl-2,5-dihydropyrrole-1-carboxamide

(2S)-N-(2-methylquinolin-5-yl)-2-propan-2-yl-2,5-dihydropyrrole-1-carboxamide (PubChem CID 125161337) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is (2S)-N-(2-methylquinolin-5-yl)-2-propan-2-yl-2,5-dihydropyrrole-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2-methylquinolin-5-yl)-2-propan-2-yl-2,5-dihydropyrrole-1-carboxamide
PubChem CID125161337
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name(2S)-N-(2-methylquinolin-5-yl)-2-propan-2-yl-2,5-dihydropyrrole-1-carboxamide
SMILESCc1ccc2c(NC(=O)N3CC=C[C@@H]3C(C)C)cccc2n1
InChIInChI=1S/C18H21N3O/c1-12(2)17-8-5-11-21(17)18(22)20-16-7-4-6-15-14(16)10-9-13(3)19-15/h4-10,12,17H,11H2,1-3H3,(H,20,22)/t17-/m1/s1
InChIKeyHBFNKXZYROZXAS-QGZVFWFLSA-N
XLogP3.97
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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(2R)-N-(2-methylquinolin-5-yl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
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(3R)-N-(2-methylquinolin-5-yl)-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 125164615
(2R)-N-(2-methylquinolin-5-yl)-2-phenylbutanamide
CID 51896436
3-iodo-N-(2-methylquinolin-5-yl)benzamide
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1-(2-methylquinolin-5-yl)-3-[(3S)-thiolan-3-yl]urea
CID 97443734
1-[(2-methylquinolin-5-yl)amino]propan-2-ol
CID 68606423
3-N,3-N-dimethyl-5-N-(2-methylquinolin-5-yl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide
CID 134127279
2-methyl-N-(2-methylquinolin-5-yl)-2-phenoxypropanamide
CID 30308944
2,4-dichloro-N-(2-methylquinolin-5-yl)benzamide
CID 6462273

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-methylquinolin-5-yl)-2-propan-2-yl-2,5-dihydropyrrole-1-carboxamide?
The IUPAC name of (2S)-N-(2-methylquinolin-5-yl)-2-propan-2-yl-2,5-dihydropyrrole-1-carboxamide (CID 125161337) is (2S)-N-(2-methylquinolin-5-yl)-2-propan-2-yl-2,5-dihydropyrrole-1-carboxamide.
What is the SMILES notation for (2S)-N-(2-methylquinolin-5-yl)-2-propan-2-yl-2,5-dihydropyrrole-1-carboxamide?
The canonical SMILES for (2S)-N-(2-methylquinolin-5-yl)-2-propan-2-yl-2,5-dihydropyrrole-1-carboxamide is Cc1ccc2c(NC(=O)N3CC=C[C@@H]3C(C)C)cccc2n1.
What is the InChIKey of (2S)-N-(2-methylquinolin-5-yl)-2-propan-2-yl-2,5-dihydropyrrole-1-carboxamide?
The InChIKey is HBFNKXZYROZXAS-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H21N3O/c1-12(2)17-8-5-11-21(17)18(22)20-16-7-4-6-15-14(16)10-9-13(3)19-15/h4-10,12,17H,11H2,1-3H3,(H,20,22)/t17-/m1/s1.
What are the key properties of (2S)-N-(2-methylquinolin-5-yl)-2-propan-2-yl-2,5-dihydropyrrole-1-carboxamide?
(2S)-N-(2-methylquinolin-5-yl)-2-propan-2-yl-2,5-dihydropyrrole-1-carboxamide has a molecular weight of 295.39 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-methylquinolin-5-yl)-2-propan-2-yl-2,5-dihydropyrrole-1-carboxamide is sourced from PubChem (CID 125161337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).