2-[[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]methyl]-4-oxo-1H-quinoline-6-carboxamide

C22H23N3O2 — CID 97133797

IUPAC2-[[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]methyl]-4-oxo-1H-quinoline-6-carboxamide
SMILESCc1ccccc1[C@H]1CCCN1Cc1cc(=O)c2cc(C(N)=O)ccc2[nH]1
InChIInChI=1S/C22H23N3O2/c1-14-5-2-3-6-17(14)20-7-4-10-25(20)13-16-12-21(26)18-11-15(22(23)27)8-9-19(18)24-16/h2-3,5-6,8-9,11-12,20H,4,7,10,13H2,1H3,(H2,23,27)(H,24,26)/t20-/m1/s1
InChIKeyNYXNGJUXLGUVGD-HXUWFJFHSA-N
MW361.45 g/mol
LogP3.27
Rot. Bonds4

About 2-[[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]methyl]-4-oxo-1H-quinoline-6-carboxamide

2-[[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]methyl]-4-oxo-1H-quinoline-6-carboxamide (PubChem CID 97133797) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-[[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]methyl]-4-oxo-1H-quinoline-6-carboxamide.

Molecular Properties

Compound Name2-[[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]methyl]-4-oxo-1H-quinoline-6-carboxamide
PubChem CID97133797
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name2-[[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]methyl]-4-oxo-1H-quinoline-6-carboxamide
SMILESCc1ccccc1[C@H]1CCCN1Cc1cc(=O)c2cc(C(N)=O)ccc2[nH]1
InChIInChI=1S/C22H23N3O2/c1-14-5-2-3-6-17(14)20-7-4-10-25(20)13-16-12-21(26)18-11-15(22(23)27)8-9-19(18)24-16/h2-3,5-6,8-9,11-12,20H,4,7,10,13H2,1H3,(H2,23,27)(H,24,26)/t20-/m1/s1
InChIKeyNYXNGJUXLGUVGD-HXUWFJFHSA-N
XLogP3.27
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]methyl]-4-oxo-1H-quinoline-6-carboxamide?
The IUPAC name of 2-[[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]methyl]-4-oxo-1H-quinoline-6-carboxamide (CID 97133797) is 2-[[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]methyl]-4-oxo-1H-quinoline-6-carboxamide.
What is the SMILES notation for 2-[[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]methyl]-4-oxo-1H-quinoline-6-carboxamide?
The canonical SMILES for 2-[[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]methyl]-4-oxo-1H-quinoline-6-carboxamide is Cc1ccccc1[C@H]1CCCN1Cc1cc(=O)c2cc(C(N)=O)ccc2[nH]1.
What is the InChIKey of 2-[[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]methyl]-4-oxo-1H-quinoline-6-carboxamide?
The InChIKey is NYXNGJUXLGUVGD-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-14-5-2-3-6-17(14)20-7-4-10-25(20)13-16-12-21(26)18-11-15(22(23)27)8-9-19(18)24-16/h2-3,5-6,8-9,11-12,20H,4,7,10,13H2,1H3,(H2,23,27)(H,24,26)/t20-/m1/s1.
What are the key properties of 2-[[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]methyl]-4-oxo-1H-quinoline-6-carboxamide?
2-[[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]methyl]-4-oxo-1H-quinoline-6-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]methyl]-4-oxo-1H-quinoline-6-carboxamide is sourced from PubChem (CID 97133797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).