N-[4-[(2-methylquinolin-4-yl)amino]-4-oxobutyl]cyclopropanecarboxamide

C18H21N3O2 — CID 75526048

IUPACN-[4-[(2-methylquinolin-4-yl)amino]-4-oxobutyl]cyclopropanecarboxamide
SMILESCc1cc(NC(=O)CCCNC(=O)C2CC2)c2ccccc2n1
InChIInChI=1S/C18H21N3O2/c1-12-11-16(14-5-2-3-6-15(14)20-12)21-17(22)7-4-10-19-18(23)13-8-9-13/h2-3,5-6,11,13H,4,7-10H2,1H3,(H,19,23)(H,20,21,22)
InChIKeyONCBZYYCDWTHPI-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.79
Rot. Bonds6

About N-[4-[(2-methylquinolin-4-yl)amino]-4-oxobutyl]cyclopropanecarboxamide

N-[4-[(2-methylquinolin-4-yl)amino]-4-oxobutyl]cyclopropanecarboxamide (PubChem CID 75526048) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-[4-[(2-methylquinolin-4-yl)amino]-4-oxobutyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[(2-methylquinolin-4-yl)amino]-4-oxobutyl]cyclopropanecarboxamide
PubChem CID75526048
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC NameN-[4-[(2-methylquinolin-4-yl)amino]-4-oxobutyl]cyclopropanecarboxamide
SMILESCc1cc(NC(=O)CCCNC(=O)C2CC2)c2ccccc2n1
InChIInChI=1S/C18H21N3O2/c1-12-11-16(14-5-2-3-6-15(14)20-12)21-17(22)7-4-10-19-18(23)13-8-9-13/h2-3,5-6,11,13H,4,7-10H2,1H3,(H,19,23)(H,20,21,22)
InChIKeyONCBZYYCDWTHPI-UHFFFAOYSA-N
XLogP2.79
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-methylquinolin-4-yl)amino]-4-oxobutyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[(2-methylquinolin-4-yl)amino]-4-oxobutyl]cyclopropanecarboxamide (CID 75526048) is N-[4-[(2-methylquinolin-4-yl)amino]-4-oxobutyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[(2-methylquinolin-4-yl)amino]-4-oxobutyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[(2-methylquinolin-4-yl)amino]-4-oxobutyl]cyclopropanecarboxamide is Cc1cc(NC(=O)CCCNC(=O)C2CC2)c2ccccc2n1.
What is the InChIKey of N-[4-[(2-methylquinolin-4-yl)amino]-4-oxobutyl]cyclopropanecarboxamide?
The InChIKey is ONCBZYYCDWTHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-12-11-16(14-5-2-3-6-15(14)20-12)21-17(22)7-4-10-19-18(23)13-8-9-13/h2-3,5-6,11,13H,4,7-10H2,1H3,(H,19,23)(H,20,21,22).
What are the key properties of N-[4-[(2-methylquinolin-4-yl)amino]-4-oxobutyl]cyclopropanecarboxamide?
N-[4-[(2-methylquinolin-4-yl)amino]-4-oxobutyl]cyclopropanecarboxamide has a molecular weight of 311.38 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-methylquinolin-4-yl)amino]-4-oxobutyl]cyclopropanecarboxamide is sourced from PubChem (CID 75526048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).