1-methyl-4-[(1-propan-2-ylcyclopropyl)methylamino]-3,4-dihydroquinolin-2-one

C17H24N2O — CID 103903270

IUPAC1-methyl-4-[(1-propan-2-ylcyclopropyl)methylamino]-3,4-dihydroquinolin-2-one
SMILESCC(C)C1(CNC2CC(=O)N(C)c3ccccc32)CC1
InChIInChI=1S/C17H24N2O/c1-12(2)17(8-9-17)11-18-14-10-16(20)19(3)15-7-5-4-6-13(14)15/h4-7,12,14,18H,8-11H2,1-3H3
InChIKeyVLRXOYVHGIBFCE-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.12
Rot. Bonds4

About 1-methyl-4-[(1-propan-2-ylcyclopropyl)methylamino]-3,4-dihydroquinolin-2-one

1-methyl-4-[(1-propan-2-ylcyclopropyl)methylamino]-3,4-dihydroquinolin-2-one (PubChem CID 103903270) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-methyl-4-[(1-propan-2-ylcyclopropyl)methylamino]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-methyl-4-[(1-propan-2-ylcyclopropyl)methylamino]-3,4-dihydroquinolin-2-one
PubChem CID103903270
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name1-methyl-4-[(1-propan-2-ylcyclopropyl)methylamino]-3,4-dihydroquinolin-2-one
SMILESCC(C)C1(CNC2CC(=O)N(C)c3ccccc32)CC1
InChIInChI=1S/C17H24N2O/c1-12(2)17(8-9-17)11-18-14-10-16(20)19(3)15-7-5-4-6-13(14)15/h4-7,12,14,18H,8-11H2,1-3H3
InChIKeyVLRXOYVHGIBFCE-UHFFFAOYSA-N
XLogP3.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(1-propan-2-ylcyclopropyl)methylamino]-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-methyl-4-[(1-propan-2-ylcyclopropyl)methylamino]-3,4-dihydroquinolin-2-one (CID 103903270) is 1-methyl-4-[(1-propan-2-ylcyclopropyl)methylamino]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-methyl-4-[(1-propan-2-ylcyclopropyl)methylamino]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-methyl-4-[(1-propan-2-ylcyclopropyl)methylamino]-3,4-dihydroquinolin-2-one is CC(C)C1(CNC2CC(=O)N(C)c3ccccc32)CC1.
What is the InChIKey of 1-methyl-4-[(1-propan-2-ylcyclopropyl)methylamino]-3,4-dihydroquinolin-2-one?
The InChIKey is VLRXOYVHGIBFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-12(2)17(8-9-17)11-18-14-10-16(20)19(3)15-7-5-4-6-13(14)15/h4-7,12,14,18H,8-11H2,1-3H3.
What are the key properties of 1-methyl-4-[(1-propan-2-ylcyclopropyl)methylamino]-3,4-dihydroquinolin-2-one?
1-methyl-4-[(1-propan-2-ylcyclopropyl)methylamino]-3,4-dihydroquinolin-2-one has a molecular weight of 272.39 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(1-propan-2-ylcyclopropyl)methylamino]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 103903270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).