2-cyclopropyl-N-[(3-methoxyphenyl)methyl]quinoline-4-carboxamide

C21H20N2O2 — CID 9377696

IUPAC2-cyclopropyl-N-[(3-methoxyphenyl)methyl]quinoline-4-carboxamide
SMILESCOc1cccc(CNC(=O)c2cc(C3CC3)nc3ccccc23)c1
InChIInChI=1S/C21H20N2O2/c1-25-16-6-4-5-14(11-16)13-22-21(24)18-12-20(15-9-10-15)23-19-8-3-2-7-17(18)19/h2-8,11-12,15H,9-10,13H2,1H3,(H,22,24)
InChIKeySRAVDMDDZVOWFB-UHFFFAOYSA-N
MW332.40 g/mol
LogP4.05
Rot. Bonds5

About 2-cyclopropyl-N-[(3-methoxyphenyl)methyl]quinoline-4-carboxamide

2-cyclopropyl-N-[(3-methoxyphenyl)methyl]quinoline-4-carboxamide (PubChem CID 9377696) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(3-methoxyphenyl)methyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[(3-methoxyphenyl)methyl]quinoline-4-carboxamide
PubChem CID9377696
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name2-cyclopropyl-N-[(3-methoxyphenyl)methyl]quinoline-4-carboxamide
SMILESCOc1cccc(CNC(=O)c2cc(C3CC3)nc3ccccc23)c1
InChIInChI=1S/C21H20N2O2/c1-25-16-6-4-5-14(11-16)13-22-21(24)18-12-20(15-9-10-15)23-19-8-3-2-7-17(18)19/h2-8,11-12,15H,9-10,13H2,1H3,(H,22,24)
InChIKeySRAVDMDDZVOWFB-UHFFFAOYSA-N
XLogP4.05
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-N-[(3,4,5-trimethoxyphenyl)methyl]quinoline-4-carboxamide
CID 9483435
2-cyclopropyl-N-[(2-methoxy-3-pyridinyl)methyl]quinoline-4-carboxamide
CID 37485659
2-cyclopropyl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 42537662
2-(4-methoxyphenyl)-N-[[3-[[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]methyl]phenyl]methyl]quinoline-4-carboxamide
CID 5101494
2-[4-[[[3-(2-methoxyethoxy)phenyl]methylamino]methyl]cyclohexyl]quinoline-4-carboxamide
CID 98126365
2-cyclopropyl-N-[(2R)-2-hydroxy-2-phenylethyl]quinoline-4-carboxamide
CID 42534455
2-(3-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-4-carboxamide
CID 42749577
N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-cyclopropylquinoline-4-carboxamide
CID 60557838
N-[(4-methoxyphenyl)methyl]-2-methylquinoline-4-carboxamide
CID 7959679
3-[(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)amino]-2-methylpropanoic acid
CID 120525811
[2-(4-methoxyanilino)-2-oxoethyl] 2-cyclopropylquinoline-4-carboxylate
CID 40763723
3-hydroxy-N-[(3-methoxyphenyl)methyl]naphthalene-2-carboxamide
CID 27231686

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(3-methoxyphenyl)methyl]quinoline-4-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[(3-methoxyphenyl)methyl]quinoline-4-carboxamide (CID 9377696) is 2-cyclopropyl-N-[(3-methoxyphenyl)methyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[(3-methoxyphenyl)methyl]quinoline-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[(3-methoxyphenyl)methyl]quinoline-4-carboxamide is COc1cccc(CNC(=O)c2cc(C3CC3)nc3ccccc23)c1.
What is the InChIKey of 2-cyclopropyl-N-[(3-methoxyphenyl)methyl]quinoline-4-carboxamide?
The InChIKey is SRAVDMDDZVOWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-25-16-6-4-5-14(11-16)13-22-21(24)18-12-20(15-9-10-15)23-19-8-3-2-7-17(18)19/h2-8,11-12,15H,9-10,13H2,1H3,(H,22,24).
What are the key properties of 2-cyclopropyl-N-[(3-methoxyphenyl)methyl]quinoline-4-carboxamide?
2-cyclopropyl-N-[(3-methoxyphenyl)methyl]quinoline-4-carboxamide has a molecular weight of 332.40 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(3-methoxyphenyl)methyl]quinoline-4-carboxamide is sourced from PubChem (CID 9377696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).