N-cyclopropyl-2-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide

C27H25N3O3 — CID 112795169

IUPACN-cyclopropyl-2-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)N(Cc3cccnc3)C3CC3)c3ccccc3n2)cc1OC
InChIInChI=1S/C27H25N3O3/c1-32-25-12-9-19(14-26(25)33-2)24-15-22(21-7-3-4-8-23(21)29-24)27(31)30(20-10-11-20)17-18-6-5-13-28-16-18/h3-9,12-16,20H,10-11,17H2,1-2H3
InChIKeyCDNHUWTVJIFDRD-UHFFFAOYSA-N
MW439.52 g/mol
LogP5.12
Rot. Bonds7

About N-cyclopropyl-2-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide

N-cyclopropyl-2-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide (PubChem CID 112795169) has the molecular formula C27H25N3O3 and a molecular weight of 439.52 g/mol. Its IUPAC name is N-cyclopropyl-2-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide
PubChem CID112795169
Molecular FormulaC27H25N3O3
Molecular Weight439.52 g/mol
Exact Mass439.19
IUPAC NameN-cyclopropyl-2-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)N(Cc3cccnc3)C3CC3)c3ccccc3n2)cc1OC
InChIInChI=1S/C27H25N3O3/c1-32-25-12-9-19(14-26(25)33-2)24-15-22(21-7-3-4-8-23(21)29-24)27(31)30(20-10-11-20)17-18-6-5-13-28-16-18/h3-9,12-16,20H,10-11,17H2,1-2H3
InChIKeyCDNHUWTVJIFDRD-UHFFFAOYSA-N
XLogP5.12
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.52
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-cyclopropyl-2-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide with MolForge

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Related Compounds

N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 72923146
2-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylquinoline-4-carboxamide
CID 26826456
2-(3,4-dimethoxyphenyl)-N,N-bis(prop-2-enyl)quinoline-4-carboxamide
CID 3494981
N-(2-cyanoethyl)-2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide
CID 78800017
2-(3,4-dimethoxyphenyl)-N-[(2,4-dimethylphenyl)methyl]-N-methylquinoline-4-carboxamide
CID 18267213
cyclohexyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
CID 23823125
[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
CID 51695382
[2-(3,4-dimethoxyphenyl)quinolin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 4259485
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 43966423
[2-oxo-2-(3-phenylpropylamino)ethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
CID 2093536
2-(3,4-dimethoxyphenyl)-N-(3-ethylphenyl)quinoline-4-carboxamide
CID 4207709
[2-(3,4-dimethoxyphenyl)quinolin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 1022755

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide?
The IUPAC name of N-cyclopropyl-2-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide (CID 112795169) is N-cyclopropyl-2-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide?
The canonical SMILES for N-cyclopropyl-2-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide is COc1ccc(-c2cc(C(=O)N(Cc3cccnc3)C3CC3)c3ccccc3n2)cc1OC.
What is the InChIKey of N-cyclopropyl-2-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide?
The InChIKey is CDNHUWTVJIFDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O3/c1-32-25-12-9-19(14-26(25)33-2)24-15-22(21-7-3-4-8-23(21)29-24)27(31)30(20-10-11-20)17-18-6-5-13-28-16-18/h3-9,12-16,20H,10-11,17H2,1-2H3.
What are the key properties of N-cyclopropyl-2-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide?
N-cyclopropyl-2-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide has a molecular weight of 439.52 g/mol, XLogP of 5.12, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide is sourced from PubChem (CID 112795169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).