6-[2-(cyclopropylamino)ethyl]-3-methyl-1H-quinolin-2-one

C15H18N2O — CID 116997530

IUPAC6-[2-(cyclopropylamino)ethyl]-3-methyl-1H-quinolin-2-one
SMILESCc1cc2cc(CCNC3CC3)ccc2[nH]c1=O
InChIInChI=1S/C15H18N2O/c1-10-8-12-9-11(6-7-16-13-3-4-13)2-5-14(12)17-15(10)18/h2,5,8-9,13,16H,3-4,6-7H2,1H3,(H,17,18)
InChIKeyXDUABNAKRCLHRF-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.13
Rot. Bonds4

About 6-[2-(cyclopropylamino)ethyl]-3-methyl-1H-quinolin-2-one

6-[2-(cyclopropylamino)ethyl]-3-methyl-1H-quinolin-2-one (PubChem CID 116997530) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 6-[2-(cyclopropylamino)ethyl]-3-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[2-(cyclopropylamino)ethyl]-3-methyl-1H-quinolin-2-one
PubChem CID116997530
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name6-[2-(cyclopropylamino)ethyl]-3-methyl-1H-quinolin-2-one
SMILESCc1cc2cc(CCNC3CC3)ccc2[nH]c1=O
InChIInChI=1S/C15H18N2O/c1-10-8-12-9-11(6-7-16-13-3-4-13)2-5-14(12)17-15(10)18/h2,5,8-9,13,16H,3-4,6-7H2,1H3,(H,17,18)
InChIKeyXDUABNAKRCLHRF-UHFFFAOYSA-N
XLogP2.13
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(cyclopropylamino)ethyl]-3-methyl-1H-quinolin-2-one?
The IUPAC name of 6-[2-(cyclopropylamino)ethyl]-3-methyl-1H-quinolin-2-one (CID 116997530) is 6-[2-(cyclopropylamino)ethyl]-3-methyl-1H-quinolin-2-one.
What is the SMILES notation for 6-[2-(cyclopropylamino)ethyl]-3-methyl-1H-quinolin-2-one?
The canonical SMILES for 6-[2-(cyclopropylamino)ethyl]-3-methyl-1H-quinolin-2-one is Cc1cc2cc(CCNC3CC3)ccc2[nH]c1=O.
What is the InChIKey of 6-[2-(cyclopropylamino)ethyl]-3-methyl-1H-quinolin-2-one?
The InChIKey is XDUABNAKRCLHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-10-8-12-9-11(6-7-16-13-3-4-13)2-5-14(12)17-15(10)18/h2,5,8-9,13,16H,3-4,6-7H2,1H3,(H,17,18).
What are the key properties of 6-[2-(cyclopropylamino)ethyl]-3-methyl-1H-quinolin-2-one?
6-[2-(cyclopropylamino)ethyl]-3-methyl-1H-quinolin-2-one has a molecular weight of 242.32 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(cyclopropylamino)ethyl]-3-methyl-1H-quinolin-2-one is sourced from PubChem (CID 116997530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).