2-(4-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylquinoline-4-carboxamide

C22H23N3O2 — CID 119551826

IUPAC2-(4-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylquinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)N(C)C3CCNC3)c3ccccc3n2)cc1
InChIInChI=1S/C22H23N3O2/c1-25(16-11-12-23-14-16)22(26)19-13-21(15-7-9-17(27-2)10-8-15)24-20-6-4-3-5-18(19)20/h3-10,13,16,23H,11-12,14H2,1-2H3
InChIKeyKYSMTWMDPCOILO-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.34
Rot. Bonds4

About 2-(4-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylquinoline-4-carboxamide

2-(4-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylquinoline-4-carboxamide (PubChem CID 119551826) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylquinoline-4-carboxamide
PubChem CID119551826
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name2-(4-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylquinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)N(C)C3CCNC3)c3ccccc3n2)cc1
InChIInChI=1S/C22H23N3O2/c1-25(16-11-12-23-14-16)22(26)19-13-21(15-7-9-17(27-2)10-8-15)24-20-6-4-3-5-18(19)20/h3-10,13,16,23H,11-12,14H2,1-2H3
InChIKeyKYSMTWMDPCOILO-UHFFFAOYSA-N
XLogP3.34
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-propan-2-yl-N-pyrrolidin-3-ylquinoline-4-carboxamide;dihydrochloride
CID 119554410
4-methoxy-N-methyl-N-pyrrolidin-3-ylnaphthalene-1-carboxamide;hydrochloride
CID 119552054
N-cyclopentyl-N-methyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 51268285
2-phenyl-N-piperidin-4-yl-N-propylquinoline-4-carboxamide
CID 119826187
2,5-dimethoxy-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119551921
2-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]-(2-phenylethyl)amino]acetic acid
CID 110077127
N-ethyl-N-(2-hydroxyethyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 78796165
N-(3-amino-2,2-dimethylpropyl)-2-(4-methoxyphenyl)-N-methylquinoline-4-carboxamide
CID 119654264
[4-[2-(4-methoxyphenyl)quinoline-4-carbonyl]-2,5-dimethylpiperazin-1-yl]-[2-(4-methoxyphenyl)quinolin-4-yl]methanone
CID 4605822
3-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 60806673
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 119456905
N-(3-amino-2,2-dimethylpropyl)-2-(4-methoxyphenyl)-N-methylquinoline-4-carboxamide;dihydrochloride
CID 119654263

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylquinoline-4-carboxamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylquinoline-4-carboxamide (CID 119551826) is 2-(4-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylquinoline-4-carboxamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylquinoline-4-carboxamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylquinoline-4-carboxamide is COc1ccc(-c2cc(C(=O)N(C)C3CCNC3)c3ccccc3n2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylquinoline-4-carboxamide?
The InChIKey is KYSMTWMDPCOILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-25(16-11-12-23-14-16)22(26)19-13-21(15-7-9-17(27-2)10-8-15)24-20-6-4-3-5-18(19)20/h3-10,13,16,23H,11-12,14H2,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylquinoline-4-carboxamide?
2-(4-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylquinoline-4-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylquinoline-4-carboxamide is sourced from PubChem (CID 119551826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).