2-cyclopropyl-N-[(2,3-dimethoxyphenyl)methyl]-N-methylquinoline-4-carboxamide

C23H24N2O3 — CID 31361151

IUPAC2-cyclopropyl-N-[(2,3-dimethoxyphenyl)methyl]-N-methylquinoline-4-carboxamide
SMILESCOc1cccc(CN(C)C(=O)c2cc(C3CC3)nc3ccccc23)c1OC
InChIInChI=1S/C23H24N2O3/c1-25(14-16-7-6-10-21(27-2)22(16)28-3)23(26)18-13-20(15-11-12-15)24-19-9-5-4-8-17(18)19/h4-10,13,15H,11-12,14H2,1-3H3
InChIKeyXRMWVVWAYKFCQH-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.40
Rot. Bonds6

About 2-cyclopropyl-N-[(2,3-dimethoxyphenyl)methyl]-N-methylquinoline-4-carboxamide

2-cyclopropyl-N-[(2,3-dimethoxyphenyl)methyl]-N-methylquinoline-4-carboxamide (PubChem CID 31361151) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(2,3-dimethoxyphenyl)methyl]-N-methylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[(2,3-dimethoxyphenyl)methyl]-N-methylquinoline-4-carboxamide
PubChem CID31361151
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name2-cyclopropyl-N-[(2,3-dimethoxyphenyl)methyl]-N-methylquinoline-4-carboxamide
SMILESCOc1cccc(CN(C)C(=O)c2cc(C3CC3)nc3ccccc23)c1OC
InChIInChI=1S/C23H24N2O3/c1-25(14-16-7-6-10-21(27-2)22(16)28-3)23(26)18-13-20(15-11-12-15)24-19-9-5-4-8-17(18)19/h4-10,13,15H,11-12,14H2,1-3H3
InChIKeyXRMWVVWAYKFCQH-UHFFFAOYSA-N
XLogP4.40
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylquinoline-4-carboxamide
CID 31361414
2-cyclopropyl-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]quinoline-4-carboxamide
CID 119062230
2-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylquinoline-4-carboxamide
CID 31363966
2-cyclopropyl-N-[(3,4,5-trimethoxyphenyl)methyl]quinoline-4-carboxamide
CID 9483435
5-[[(2-cyclopropylquinoline-4-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 120522952
2-cyclopropyl-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylquinoline-4-carboxamide
CID 9378561
N-[(2,3-dimethoxyphenyl)methyl]-N,3-dimethyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 34845376
N-(3-amino-2,2-dimethylpropyl)-2-cyclopropyl-N-methylquinoline-4-carboxamide;dihydrochloride
CID 119654354
N-[(2,3-dimethoxyphenyl)methyl]-3-ethoxy-N-methylnaphthalene-2-carboxamide
CID 18131988
2,5-dichloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbenzamide
CID 18112013
N-cycloheptyl-2-cyclopropyl-N-methylquinoline-4-carboxamide
CID 55469564
6-cyclopropyl-N-[(2,3-dimethoxyphenyl)methyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55718526

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(2,3-dimethoxyphenyl)methyl]-N-methylquinoline-4-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[(2,3-dimethoxyphenyl)methyl]-N-methylquinoline-4-carboxamide (CID 31361151) is 2-cyclopropyl-N-[(2,3-dimethoxyphenyl)methyl]-N-methylquinoline-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[(2,3-dimethoxyphenyl)methyl]-N-methylquinoline-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[(2,3-dimethoxyphenyl)methyl]-N-methylquinoline-4-carboxamide is COc1cccc(CN(C)C(=O)c2cc(C3CC3)nc3ccccc23)c1OC.
What is the InChIKey of 2-cyclopropyl-N-[(2,3-dimethoxyphenyl)methyl]-N-methylquinoline-4-carboxamide?
The InChIKey is XRMWVVWAYKFCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-25(14-16-7-6-10-21(27-2)22(16)28-3)23(26)18-13-20(15-11-12-15)24-19-9-5-4-8-17(18)19/h4-10,13,15H,11-12,14H2,1-3H3.
What are the key properties of 2-cyclopropyl-N-[(2,3-dimethoxyphenyl)methyl]-N-methylquinoline-4-carboxamide?
2-cyclopropyl-N-[(2,3-dimethoxyphenyl)methyl]-N-methylquinoline-4-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 4.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(2,3-dimethoxyphenyl)methyl]-N-methylquinoline-4-carboxamide is sourced from PubChem (CID 31361151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).