N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]quinoline-6-carboxamide

C18H23N3O — CID 11426487

IUPACN-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]quinoline-6-carboxamide
SMILESCC(C)CN(C(=O)c1ccc2ncccc2c1)[C@H]1CCNC1
InChIInChI=1S/C18H23N3O/c1-13(2)12-21(16-7-9-19-11-16)18(22)15-5-6-17-14(10-15)4-3-8-20-17/h3-6,8,10,13,16,19H,7,9,11-12H2,1-2H3/t16-/m0/s1
InChIKeySGCGJVXSEWUTOV-INIZCTEOSA-N
MW297.40 g/mol
LogP2.69
Rot. Bonds4

About N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]quinoline-6-carboxamide

N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]quinoline-6-carboxamide (PubChem CID 11426487) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]quinoline-6-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]quinoline-6-carboxamide
PubChem CID11426487
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC NameN-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]quinoline-6-carboxamide
SMILESCC(C)CN(C(=O)c1ccc2ncccc2c1)[C@H]1CCNC1
InChIInChI=1S/C18H23N3O/c1-13(2)12-21(16-7-9-19-11-16)18(22)15-5-6-17-14(10-15)4-3-8-20-17/h3-6,8,10,13,16,19H,7,9,11-12H2,1-2H3/t16-/m0/s1
InChIKeySGCGJVXSEWUTOV-INIZCTEOSA-N
XLogP2.69
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylpropyl)-N-piperidin-3-ylquinoline-6-carboxamide
CID 142975144
N-(2-methylpropyl)-N-[(3R)-pyrrolidin-3-yl]naphthalene-2-carboxamide
CID 11323940
N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]naphthalene-2-carboxamide;hydrochloride
CID 69121731
N-methyl-N-pyrrolidin-3-ylquinoline-6-carboxamide
CID 55172573
N-cyclopropyl-N-prop-2-enylquinoline-6-carboxamide
CID 75399345
N-(2-chloroethyl)-N-cyclopropylquinoline-6-carboxamide
CID 63394792
N-[(3S)-pyrrolidin-3-yl]quinoline-6-carboxamide
CID 79688925
N-ethyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]quinoline-6-carboxamide
CID 86874699
N-ethyl-N-pyrrolidin-3-ylpyridine-3-carboxamide
CID 63299166
N-butyl-N-[(3S)-pyrrolidin-3-yl]naphthalene-2-carboxamide
CID 141107759
2,4-dichloro-N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 11336016
2-chloro-3-methyl-N-(2-methylpropyl)-N-pyrrolidin-3-ylbenzamide
CID 72810882

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]quinoline-6-carboxamide?
The IUPAC name of N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]quinoline-6-carboxamide (CID 11426487) is N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]quinoline-6-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]quinoline-6-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]quinoline-6-carboxamide is CC(C)CN(C(=O)c1ccc2ncccc2c1)[C@H]1CCNC1.
What is the InChIKey of N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]quinoline-6-carboxamide?
The InChIKey is SGCGJVXSEWUTOV-INIZCTEOSA-N. The full InChI is InChI=1S/C18H23N3O/c1-13(2)12-21(16-7-9-19-11-16)18(22)15-5-6-17-14(10-15)4-3-8-20-17/h3-6,8,10,13,16,19H,7,9,11-12H2,1-2H3/t16-/m0/s1.
What are the key properties of N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]quinoline-6-carboxamide?
N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]quinoline-6-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]quinoline-6-carboxamide is sourced from PubChem (CID 11426487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).