2-cyclopropyl-N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide

C18H22N2O2 — CID 110608956

IUPAC2-cyclopropyl-N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
SMILESCc1cc2cc(CNC(=O)C(C)C3CC3)c(=O)[nH]c2cc1C
InChIInChI=1S/C18H22N2O2/c1-10-6-14-8-15(18(22)20-16(14)7-11(10)2)9-19-17(21)12(3)13-4-5-13/h6-8,12-13H,4-5,9H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyJMFQHUGNVUJWOW-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.81
Rot. Bonds4

About 2-cyclopropyl-N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide

2-cyclopropyl-N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide (PubChem CID 110608956) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
PubChem CID110608956
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name2-cyclopropyl-N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
SMILESCc1cc2cc(CNC(=O)C(C)C3CC3)c(=O)[nH]c2cc1C
InChIInChI=1S/C18H22N2O2/c1-10-6-14-8-15(18(22)20-16(14)7-11(10)2)9-19-17(21)12(3)13-4-5-13/h6-8,12-13H,4-5,9H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyJMFQHUGNVUJWOW-UHFFFAOYSA-N
XLogP2.81
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide?
The IUPAC name of 2-cyclopropyl-N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide (CID 110608956) is 2-cyclopropyl-N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide.
What is the SMILES notation for 2-cyclopropyl-N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide?
The canonical SMILES for 2-cyclopropyl-N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide is Cc1cc2cc(CNC(=O)C(C)C3CC3)c(=O)[nH]c2cc1C.
What is the InChIKey of 2-cyclopropyl-N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide?
The InChIKey is JMFQHUGNVUJWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-10-6-14-8-15(18(22)20-16(14)7-11(10)2)9-19-17(21)12(3)13-4-5-13/h6-8,12-13H,4-5,9H2,1-3H3,(H,19,21)(H,20,22).
What are the key properties of 2-cyclopropyl-N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide?
2-cyclopropyl-N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide has a molecular weight of 298.39 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide is sourced from PubChem (CID 110608956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).