N-benzyl-N-cyclopropyl-6-methoxyquinoline-2-carboxamide

C21H20N2O2 — CID 38283237

IUPACN-benzyl-N-cyclopropyl-6-methoxyquinoline-2-carboxamide
SMILESCOc1ccc2nc(C(=O)N(Cc3ccccc3)C3CC3)ccc2c1
InChIInChI=1S/C21H20N2O2/c1-25-18-10-12-19-16(13-18)7-11-20(22-19)21(24)23(17-8-9-17)14-15-5-3-2-4-6-15/h2-7,10-13,17H,8-9,14H2,1H3
InChIKeyVXVTXJOMBRXGFU-UHFFFAOYSA-N
MW332.40 g/mol
LogP4.05
Rot. Bonds5

About N-benzyl-N-cyclopropyl-6-methoxyquinoline-2-carboxamide

N-benzyl-N-cyclopropyl-6-methoxyquinoline-2-carboxamide (PubChem CID 38283237) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-benzyl-N-cyclopropyl-6-methoxyquinoline-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-cyclopropyl-6-methoxyquinoline-2-carboxamide
PubChem CID38283237
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC NameN-benzyl-N-cyclopropyl-6-methoxyquinoline-2-carboxamide
SMILESCOc1ccc2nc(C(=O)N(Cc3ccccc3)C3CC3)ccc2c1
InChIInChI=1S/C21H20N2O2/c1-25-18-10-12-19-16(13-18)7-11-20(22-19)21(24)23(17-8-9-17)14-15-5-3-2-4-6-15/h2-7,10-13,17H,8-9,14H2,1H3
InChIKeyVXVTXJOMBRXGFU-UHFFFAOYSA-N
XLogP4.05
TPSA42.43 Ų
H-Bond Donors
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 ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 62045651
cyclohexyl 6-methoxyquinoline-2-carboxylate
CID 24585683
N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylquinoline-2-carboxamide
CID 9482645
N-benzyl-6-bromo-N-cyclopropylpyridine-2-carboxamide
CID 103874221
N-benzyl-N-(4-methoxyphenyl)-1,6-naphthyridine-2-carboxamide
CID 167873021
N-[(2-hydroxycyclopentyl)methyl]-6-methoxy-N-methylquinoline-2-carboxamide
CID 109399670
N-[(2R)-2-hydroxypropyl]-6-methoxy-N-methylquinoline-2-carboxamide
CID 95972027
N-ethyl-N-(2-hydroxyethyl)-6-methoxyquinoline-2-carboxamide
CID 110886561
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]naphthalene-2-carboxamide
CID 33078186
N-benzyl-N-cyclopropyl-2,3-diethylquinoxaline-6-carboxamide
CID 30712262
4-(aminomethyl)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzamide
CID 119272533
methyl 4-[cyclopropyl-[(4-methoxyphenyl)methyl]carbamoyl]benzoate
CID 9298633

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-cyclopropyl-6-methoxyquinoline-2-carboxamide?
The IUPAC name of N-benzyl-N-cyclopropyl-6-methoxyquinoline-2-carboxamide (CID 38283237) is N-benzyl-N-cyclopropyl-6-methoxyquinoline-2-carboxamide.
What is the SMILES notation for N-benzyl-N-cyclopropyl-6-methoxyquinoline-2-carboxamide?
The canonical SMILES for N-benzyl-N-cyclopropyl-6-methoxyquinoline-2-carboxamide is COc1ccc2nc(C(=O)N(Cc3ccccc3)C3CC3)ccc2c1.
What is the InChIKey of N-benzyl-N-cyclopropyl-6-methoxyquinoline-2-carboxamide?
The InChIKey is VXVTXJOMBRXGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-25-18-10-12-19-16(13-18)7-11-20(22-19)21(24)23(17-8-9-17)14-15-5-3-2-4-6-15/h2-7,10-13,17H,8-9,14H2,1H3.
What are the key properties of N-benzyl-N-cyclopropyl-6-methoxyquinoline-2-carboxamide?
N-benzyl-N-cyclopropyl-6-methoxyquinoline-2-carboxamide has a molecular weight of 332.40 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-cyclopropyl-6-methoxyquinoline-2-carboxamide is sourced from PubChem (CID 38283237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).