7-methoxy-2-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]quinoline-4-carboxamide

C17H21N3O2 — CID 119071112

IUPAC7-methoxy-2-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]quinoline-4-carboxamide
SMILESCOc1ccc2c(C(=O)NC[C@@H]3CCCN3)cc(C)nc2c1
InChIInChI=1S/C17H21N3O2/c1-11-8-15(17(21)19-10-12-4-3-7-18-12)14-6-5-13(22-2)9-16(14)20-11/h5-6,8-9,12,18H,3-4,7,10H2,1-2H3,(H,19,21)/t12-/m0/s1
InChIKeyAKALWLWMIPGFBZ-LBPRGKRZSA-N
MW299.37 g/mol
LogP2.03
Rot. Bonds4

About 7-methoxy-2-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]quinoline-4-carboxamide

7-methoxy-2-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]quinoline-4-carboxamide (PubChem CID 119071112) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 7-methoxy-2-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name7-methoxy-2-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]quinoline-4-carboxamide
PubChem CID119071112
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name7-methoxy-2-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]quinoline-4-carboxamide
SMILESCOc1ccc2c(C(=O)NC[C@@H]3CCCN3)cc(C)nc2c1
InChIInChI=1S/C17H21N3O2/c1-11-8-15(17(21)19-10-12-4-3-7-18-12)14-6-5-13(22-2)9-16(14)20-11/h5-6,8-9,12,18H,3-4,7,10H2,1-2H3,(H,19,21)/t12-/m0/s1
InChIKeyAKALWLWMIPGFBZ-LBPRGKRZSA-N
XLogP2.03
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-7-methoxy-2-methylquinoline-4-carboxamide
CID 119061251
2-fluoro-4-(4-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119512916
7-methoxy-2-methyl-N-(4-pyrrolidin-1-ylbutyl)quinoline-4-carboxamide
CID 118780364
7-methoxy-2-methyl-N-[(3-methyloxetan-3-yl)methyl]quinoline-4-carboxamide
CID 119059354
5-methoxy-3-methyl-N-(pyrrolidin-2-ylmethyl)-1-benzothiophene-2-carboxamide
CID 119512740
N-[2-[(1S,3S,5S)-3-cyano-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-7-methoxy-2-methylquinoline-4-carboxamide
CID 170539763
7-bromo-2-methyl-N-(piperidin-3-ylmethyl)quinoline-4-carboxamide
CID 119462915
5-bromo-2,3-dimethoxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 14665499
7-methoxy-2-pyrrolidin-2-ylquinoline-4-carboxylic acid
CID 84641748
5-iodo-2,3-dimethoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]benzamide
CID 11741085
2-cyclopropyl-N-(pyrrolidin-2-ylmethyl)quinoline-4-carboxamide;dihydrochloride
CID 119511849
2-cyclopropyl-6-methyl-N-(pyrrolidin-2-ylmethyl)quinoline-4-carboxamide;dihydrochloride
CID 119514049

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]quinoline-4-carboxamide?
The IUPAC name of 7-methoxy-2-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]quinoline-4-carboxamide (CID 119071112) is 7-methoxy-2-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]quinoline-4-carboxamide.
What is the SMILES notation for 7-methoxy-2-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]quinoline-4-carboxamide?
The canonical SMILES for 7-methoxy-2-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]quinoline-4-carboxamide is COc1ccc2c(C(=O)NC[C@@H]3CCCN3)cc(C)nc2c1.
What is the InChIKey of 7-methoxy-2-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]quinoline-4-carboxamide?
The InChIKey is AKALWLWMIPGFBZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-11-8-15(17(21)19-10-12-4-3-7-18-12)14-6-5-13(22-2)9-16(14)20-11/h5-6,8-9,12,18H,3-4,7,10H2,1-2H3,(H,19,21)/t12-/m0/s1.
What are the key properties of 7-methoxy-2-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]quinoline-4-carboxamide?
7-methoxy-2-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]quinoline-4-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]quinoline-4-carboxamide is sourced from PubChem (CID 119071112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).