N-[(4-hydroxypyrrolidin-3-yl)methyl]-6-methoxyquinoline-2-carboxamide;dihydrochloride

C16H21Cl2N3O3 — CID 120946976

IUPACN-[(4-hydroxypyrrolidin-3-yl)methyl]-6-methoxyquinoline-2-carboxamide;dihydrochloride
SMILESCOc1ccc2nc(C(=O)NCC3CNCC3O)ccc2c1.Cl.Cl
InChIInChI=1S/C16H19N3O3.2ClH/c1-22-12-3-5-13-10(6-12)2-4-14(19-13)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
InChIKeyQGTASPIQBYOHAQ-UHFFFAOYSA-N
MW374.27 g/mol
LogP1.40
Rot. Bonds4

About N-[(4-hydroxypyrrolidin-3-yl)methyl]-6-methoxyquinoline-2-carboxamide;dihydrochloride

N-[(4-hydroxypyrrolidin-3-yl)methyl]-6-methoxyquinoline-2-carboxamide;dihydrochloride (PubChem CID 120946976) has the molecular formula C16H21Cl2N3O3 and a molecular weight of 374.27 g/mol. Its IUPAC name is N-[(4-hydroxypyrrolidin-3-yl)methyl]-6-methoxyquinoline-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-6-methoxyquinoline-2-carboxamide;dihydrochloride
PubChem CID120946976
Molecular FormulaC16H21Cl2N3O3
Molecular Weight374.27 g/mol
Exact Mass373.10
IUPAC NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-6-methoxyquinoline-2-carboxamide;dihydrochloride
SMILESCOc1ccc2nc(C(=O)NCC3CNCC3O)ccc2c1.Cl.Cl
InChIInChI=1S/C16H19N3O3.2ClH/c1-22-12-3-5-13-10(6-12)2-4-14(19-13)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
InChIKeyQGTASPIQBYOHAQ-UHFFFAOYSA-N
XLogP1.40
TPSA83.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.27
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120948240
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3,5-dimethoxybenzamide
CID 120946857
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(4-methoxyphenyl)sulfanylacetamide;hydrochloride
CID 120947870
4-[[(6-methoxynaphthalen-2-yl)methylamino]methyl]pyrrolidin-3-ol
CID 120962307
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(4-methoxyanilino)benzamide;hydrochloride
CID 120945808
N-[[4-(dimethylamino)phenyl]methyl]-6-methoxyquinoline-2-carboxamide
CID 33318425
N-[(4-hydroxypyrrolidin-3-yl)methyl]-6-methoxy-3-phenyl-1-benzofuran-2-carboxamide
CID 120947243
N-[2-(cyclohexen-1-yl)ethyl]-6-methoxyquinoline-2-carboxamide
CID 17489789
N-[(4-hydroxypyrrolidin-3-yl)methyl]-6-methoxy-2H-chromene-3-carboxamide
CID 120947707
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(2-methoxyethoxy)benzamide;hydrochloride
CID 120946250
N-[4-(cyclopropanecarbonylamino)phenyl]-6-methoxyquinoline-2-carboxamide
CID 24601678
N-[(2-hydroxycyclopentyl)methyl]-6-methoxy-N-methylquinoline-2-carboxamide
CID 109399670

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-6-methoxyquinoline-2-carboxamide;dihydrochloride?
The IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-6-methoxyquinoline-2-carboxamide;dihydrochloride (CID 120946976) is N-[(4-hydroxypyrrolidin-3-yl)methyl]-6-methoxyquinoline-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-[(4-hydroxypyrrolidin-3-yl)methyl]-6-methoxyquinoline-2-carboxamide;dihydrochloride?
The canonical SMILES for N-[(4-hydroxypyrrolidin-3-yl)methyl]-6-methoxyquinoline-2-carboxamide;dihydrochloride is COc1ccc2nc(C(=O)NCC3CNCC3O)ccc2c1.Cl.Cl.
What is the InChIKey of N-[(4-hydroxypyrrolidin-3-yl)methyl]-6-methoxyquinoline-2-carboxamide;dihydrochloride?
The InChIKey is QGTASPIQBYOHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3.2ClH/c1-22-12-3-5-13-10(6-12)2-4-14(19-13)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]-6-methoxyquinoline-2-carboxamide;dihydrochloride?
N-[(4-hydroxypyrrolidin-3-yl)methyl]-6-methoxyquinoline-2-carboxamide;dihydrochloride has a molecular weight of 374.27 g/mol, XLogP of 1.40, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxypyrrolidin-3-yl)methyl]-6-methoxyquinoline-2-carboxamide;dihydrochloride is sourced from PubChem (CID 120946976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).