6-methyl-3-(propylaminomethyl)-1H-quinolin-2-one

C14H18N2O — CID 97057433

IUPAC6-methyl-3-(propylaminomethyl)-1H-quinolin-2-one
SMILESCCCNCc1cc2cc(C)ccc2[nH]c1=O
InChIInChI=1S/C14H18N2O/c1-3-6-15-9-12-8-11-7-10(2)4-5-13(11)16-14(12)17/h4-5,7-8,15H,3,6,9H2,1-2H3,(H,16,17)
InChIKeyPFGSOEQUUVBVMJ-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.34
Rot. Bonds4

About 6-methyl-3-(propylaminomethyl)-1H-quinolin-2-one

6-methyl-3-(propylaminomethyl)-1H-quinolin-2-one (PubChem CID 97057433) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 6-methyl-3-(propylaminomethyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name6-methyl-3-(propylaminomethyl)-1H-quinolin-2-one
PubChem CID97057433
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name6-methyl-3-(propylaminomethyl)-1H-quinolin-2-one
SMILESCCCNCc1cc2cc(C)ccc2[nH]c1=O
InChIInChI=1S/C14H18N2O/c1-3-6-15-9-12-8-11-7-10(2)4-5-13(11)16-14(12)17/h4-5,7-8,15H,3,6,9H2,1-2H3,(H,16,17)
InChIKeyPFGSOEQUUVBVMJ-UHFFFAOYSA-N
XLogP2.34
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-propylurea
CID 110414626
6-methyl-3-[(3-morpholin-4-ylpropylamino)methyl]-1H-quinolin-2-one
CID 3169163
3-(aminomethyl)-6-methyl-1H-quinolin-2-one
CID 6487618
3-[[2-(dimethylamino)ethylamino]methyl]-7-methyl-1H-quinolin-2-one
CID 3171688
3-[(2,6-dimethylanilino)methyl]-6-methyl-1H-quinolin-2-one
CID 25318648
6-ethyl-3-[(2-hydroxyethylamino)methyl]-1H-quinolin-2-one
CID 3169171
3-[(4-chloroanilino)methyl]-6-methyl-1H-quinolin-2-one
CID 25318659
3-[(cyclopentylamino)methyl]-6-methyl-1H-quinolin-2-one
CID 863819
N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide
CID 71684039
3-[[2-(dimethylamino)ethylamino]methyl]-6-ethoxy-1H-quinolin-2-one
CID 3171691
3-[(3,4-dimethoxyanilino)methyl]-6-methyl-1H-quinolin-2-one
CID 95855590
6-ethoxy-3-[(2-methoxyethylamino)methyl]-1H-quinolin-2-one
CID 3215146

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(propylaminomethyl)-1H-quinolin-2-one?
The IUPAC name of 6-methyl-3-(propylaminomethyl)-1H-quinolin-2-one (CID 97057433) is 6-methyl-3-(propylaminomethyl)-1H-quinolin-2-one.
What is the SMILES notation for 6-methyl-3-(propylaminomethyl)-1H-quinolin-2-one?
The canonical SMILES for 6-methyl-3-(propylaminomethyl)-1H-quinolin-2-one is CCCNCc1cc2cc(C)ccc2[nH]c1=O.
What is the InChIKey of 6-methyl-3-(propylaminomethyl)-1H-quinolin-2-one?
The InChIKey is PFGSOEQUUVBVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-3-6-15-9-12-8-11-7-10(2)4-5-13(11)16-14(12)17/h4-5,7-8,15H,3,6,9H2,1-2H3,(H,16,17).
What are the key properties of 6-methyl-3-(propylaminomethyl)-1H-quinolin-2-one?
6-methyl-3-(propylaminomethyl)-1H-quinolin-2-one has a molecular weight of 230.31 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(propylaminomethyl)-1H-quinolin-2-one is sourced from PubChem (CID 97057433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).