N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylquinoline-4-carboxamide;dihydrochloride

C16H21Cl2N3O2 — CID 120944201

IUPACN-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylquinoline-4-carboxamide;dihydrochloride
SMILESCc1cc(C(=O)NCC2CNCC2O)c2ccccc2n1.Cl.Cl
InChIInChI=1S/C16H19N3O2.2ClH/c1-10-6-13(12-4-2-3-5-14(12)19-10)16(21)18-8-11-7-17-9-15(11)20;;/h2-6,11,15,17,20H,7-9H2,1H3,(H,18,21);2*1H
InChIKeyMJHQFIIXXWSQON-UHFFFAOYSA-N
MW358.27 g/mol
LogP1.70
Rot. Bonds3

About N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylquinoline-4-carboxamide;dihydrochloride

N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylquinoline-4-carboxamide;dihydrochloride (PubChem CID 120944201) has the molecular formula C16H21Cl2N3O2 and a molecular weight of 358.27 g/mol. Its IUPAC name is N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylquinoline-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylquinoline-4-carboxamide;dihydrochloride
PubChem CID120944201
Molecular FormulaC16H21Cl2N3O2
Molecular Weight358.27 g/mol
Exact Mass357.10
IUPAC NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylquinoline-4-carboxamide;dihydrochloride
SMILESCc1cc(C(=O)NCC2CNCC2O)c2ccccc2n1.Cl.Cl
InChIInChI=1S/C16H19N3O2.2ClH/c1-10-6-13(12-4-2-3-5-14(12)19-10)16(21)18-8-11-7-17-9-15(11)20;;/h2-6,11,15,17,20H,7-9H2,1H3,(H,18,21);2*1H
InChIKeyMJHQFIIXXWSQON-UHFFFAOYSA-N
XLogP1.70
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.27
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 120946099
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride
CID 120946320
N-[2-(cyclopropylamino)ethyl]-2-methylquinoline-4-carboxamide
CID 62664736
N-(azetidin-3-ylmethyl)-2-phenylquinoline-4-carboxamide
CID 162460260
2-methyl-N-[(3S)-pyrrolidin-3-yl]quinoline-4-carboxamide
CID 79689593
N-(cyanomethyl)-2-methylquinoline-4-carboxamide
CID 51890088
N-(2-benzamidoethyl)-2-methylquinoline-4-carboxamide
CID 38202874
N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide;hydrochloride
CID 120945682
N-[(1-hydroxycyclobutyl)methyl]-2-methylquinoline-4-carboxamide
CID 115643532
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylquinoline-4-carboxamide;dihydrochloride
CID 120892003
5-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylbenzamide;hydrochloride
CID 120946846
(2S)-2-hydroxy-4-[(2-methylquinoline-4-carbonyl)amino]butanoic acid
CID 107834591

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylquinoline-4-carboxamide;dihydrochloride?
The IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylquinoline-4-carboxamide;dihydrochloride (CID 120944201) is N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylquinoline-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylquinoline-4-carboxamide;dihydrochloride?
The canonical SMILES for N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylquinoline-4-carboxamide;dihydrochloride is Cc1cc(C(=O)NCC2CNCC2O)c2ccccc2n1.Cl.Cl.
What is the InChIKey of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylquinoline-4-carboxamide;dihydrochloride?
The InChIKey is MJHQFIIXXWSQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2.2ClH/c1-10-6-13(12-4-2-3-5-14(12)19-10)16(21)18-8-11-7-17-9-15(11)20;;/h2-6,11,15,17,20H,7-9H2,1H3,(H,18,21);2*1H.
What are the key properties of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylquinoline-4-carboxamide;dihydrochloride?
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylquinoline-4-carboxamide;dihydrochloride has a molecular weight of 358.27 g/mol, XLogP of 1.70, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylquinoline-4-carboxamide;dihydrochloride is sourced from PubChem (CID 120944201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).