N-methyl-2-propan-2-yl-N-pyrrolidin-3-ylquinoline-4-carboxamide;dihydrochloride

C18H25Cl2N3O — CID 119554410

IUPACN-methyl-2-propan-2-yl-N-pyrrolidin-3-ylquinoline-4-carboxamide;dihydrochloride
SMILESCC(C)c1cc(C(=O)N(C)C2CCNC2)c2ccccc2n1.Cl.Cl
InChIInChI=1S/C18H23N3O.2ClH/c1-12(2)17-10-15(14-6-4-5-7-16(14)20-17)18(22)21(3)13-8-9-19-11-13;;/h4-7,10,12-13,19H,8-9,11H2,1-3H3;2*1H
InChIKeyZZBBNUZNTLFSLS-UHFFFAOYSA-N
MW370.32 g/mol
LogP3.64
Rot. Bonds3

About N-methyl-2-propan-2-yl-N-pyrrolidin-3-ylquinoline-4-carboxamide;dihydrochloride

N-methyl-2-propan-2-yl-N-pyrrolidin-3-ylquinoline-4-carboxamide;dihydrochloride (PubChem CID 119554410) has the molecular formula C18H25Cl2N3O and a molecular weight of 370.32 g/mol. Its IUPAC name is N-methyl-2-propan-2-yl-N-pyrrolidin-3-ylquinoline-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-methyl-2-propan-2-yl-N-pyrrolidin-3-ylquinoline-4-carboxamide;dihydrochloride
PubChem CID119554410
Molecular FormulaC18H25Cl2N3O
Molecular Weight370.32 g/mol
Exact Mass369.14
IUPAC NameN-methyl-2-propan-2-yl-N-pyrrolidin-3-ylquinoline-4-carboxamide;dihydrochloride
SMILESCC(C)c1cc(C(=O)N(C)C2CCNC2)c2ccccc2n1.Cl.Cl
InChIInChI=1S/C18H23N3O.2ClH/c1-12(2)17-10-15(14-6-4-5-7-16(14)20-17)18(22)21(3)13-8-9-19-11-13;;/h4-7,10,12-13,19H,8-9,11H2,1-3H3;2*1H
InChIKeyZZBBNUZNTLFSLS-UHFFFAOYSA-N
XLogP3.64
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.32
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylquinoline-4-carboxamide
CID 119551826
N,3-dimethyl-6-propan-2-yl-N-pyrrolidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119551327
4-methoxy-N-methyl-N-pyrrolidin-3-ylnaphthalene-1-carboxamide;hydrochloride
CID 119552054
2-amino-N-cyclopropyl-N-methylquinoline-4-carboxamide
CID 62156130
7-chloro-N-methyl-N-pyrrolidin-3-ylquinoline-4-carboxamide
CID 138050895
N-methyl-2,4-dioxo-7-propan-2-yl-1-propyl-N-pyrrolidin-3-ylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride
CID 119553350
2,3-difluoro-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119554382
2-chloro-N-cyclobutyl-N-methylquinoline-4-carboxamide
CID 115649170
N-methyl-2-propan-2-ylsulfonyl-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 124613861
N,2-dimethyl-4-propan-2-yl-N-[(3S)-pyrrolidin-3-yl]pyrimidine-5-carboxamide
CID 124613889
N-methyl-N-pyrrolidin-3-ylpyridine-4-carboxamide;dihydrochloride
CID 119551120
N-methyl-2-oxo-N-pyrrolidin-3-ylchromene-3-carboxamide
CID 63298023

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-propan-2-yl-N-pyrrolidin-3-ylquinoline-4-carboxamide;dihydrochloride?
The IUPAC name of N-methyl-2-propan-2-yl-N-pyrrolidin-3-ylquinoline-4-carboxamide;dihydrochloride (CID 119554410) is N-methyl-2-propan-2-yl-N-pyrrolidin-3-ylquinoline-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-methyl-2-propan-2-yl-N-pyrrolidin-3-ylquinoline-4-carboxamide;dihydrochloride?
The canonical SMILES for N-methyl-2-propan-2-yl-N-pyrrolidin-3-ylquinoline-4-carboxamide;dihydrochloride is CC(C)c1cc(C(=O)N(C)C2CCNC2)c2ccccc2n1.Cl.Cl.
What is the InChIKey of N-methyl-2-propan-2-yl-N-pyrrolidin-3-ylquinoline-4-carboxamide;dihydrochloride?
The InChIKey is ZZBBNUZNTLFSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O.2ClH/c1-12(2)17-10-15(14-6-4-5-7-16(14)20-17)18(22)21(3)13-8-9-19-11-13;;/h4-7,10,12-13,19H,8-9,11H2,1-3H3;2*1H.
What are the key properties of N-methyl-2-propan-2-yl-N-pyrrolidin-3-ylquinoline-4-carboxamide;dihydrochloride?
N-methyl-2-propan-2-yl-N-pyrrolidin-3-ylquinoline-4-carboxamide;dihydrochloride has a molecular weight of 370.32 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-propan-2-yl-N-pyrrolidin-3-ylquinoline-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119554410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).