4-[(cyclopropylmethylamino)methyl]-1H-quinolin-2-one

C14H16N2O — CID 55222341

IUPAC4-[(cyclopropylmethylamino)methyl]-1H-quinolin-2-one
SMILESO=c1cc(CNCC2CC2)c2ccccc2[nH]1
InChIInChI=1S/C14H16N2O/c17-14-7-11(9-15-8-10-5-6-10)12-3-1-2-4-13(12)16-14/h1-4,7,10,15H,5-6,8-9H2,(H,16,17)
InChIKeyQJGTYDAHBZTGHD-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.03
Rot. Bonds4

About 4-[(cyclopropylmethylamino)methyl]-1H-quinolin-2-one

4-[(cyclopropylmethylamino)methyl]-1H-quinolin-2-one (PubChem CID 55222341) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 4-[(cyclopropylmethylamino)methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name4-[(cyclopropylmethylamino)methyl]-1H-quinolin-2-one
PubChem CID55222341
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name4-[(cyclopropylmethylamino)methyl]-1H-quinolin-2-one
SMILESO=c1cc(CNCC2CC2)c2ccccc2[nH]1
InChIInChI=1S/C14H16N2O/c17-14-7-11(9-15-8-10-5-6-10)12-3-1-2-4-13(12)16-14/h1-4,7,10,15H,5-6,8-9H2,(H,16,17)
InChIKeyQJGTYDAHBZTGHD-UHFFFAOYSA-N
XLogP2.03
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[(cyclopropylmethylamino)methyl]-1H-quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(cyclopropylmethylamino)methyl]-1H-quinolin-2-one?
The IUPAC name of 4-[(cyclopropylmethylamino)methyl]-1H-quinolin-2-one (CID 55222341) is 4-[(cyclopropylmethylamino)methyl]-1H-quinolin-2-one.
What is the SMILES notation for 4-[(cyclopropylmethylamino)methyl]-1H-quinolin-2-one?
The canonical SMILES for 4-[(cyclopropylmethylamino)methyl]-1H-quinolin-2-one is O=c1cc(CNCC2CC2)c2ccccc2[nH]1.
What is the InChIKey of 4-[(cyclopropylmethylamino)methyl]-1H-quinolin-2-one?
The InChIKey is QJGTYDAHBZTGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c17-14-7-11(9-15-8-10-5-6-10)12-3-1-2-4-13(12)16-14/h1-4,7,10,15H,5-6,8-9H2,(H,16,17).
What are the key properties of 4-[(cyclopropylmethylamino)methyl]-1H-quinolin-2-one?
4-[(cyclopropylmethylamino)methyl]-1H-quinolin-2-one has a molecular weight of 228.30 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cyclopropylmethylamino)methyl]-1H-quinolin-2-one is sourced from PubChem (CID 55222341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).