1-(cyclopropylmethyl)-6-[(5-methylpyrimidin-2-yl)amino]-5,6,7,8-tetrahydroquinolin-2-one

C18H22N4O — CID 118738951

IUPAC1-(cyclopropylmethyl)-6-[(5-methylpyrimidin-2-yl)amino]-5,6,7,8-tetrahydroquinolin-2-one
SMILESCc1cnc(NC2CCc3c(ccc(=O)n3CC3CC3)C2)nc1
InChIInChI=1S/C18H22N4O/c1-12-9-19-18(20-10-12)21-15-5-6-16-14(8-15)4-7-17(23)22(16)11-13-2-3-13/h4,7,9-10,13,15H,2-3,5-6,8,11H2,1H3,(H,19,20,21)
InChIKeyVJBGODSXMWTZFG-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.33
Rot. Bonds4

About 1-(cyclopropylmethyl)-6-[(5-methylpyrimidin-2-yl)amino]-5,6,7,8-tetrahydroquinolin-2-one

1-(cyclopropylmethyl)-6-[(5-methylpyrimidin-2-yl)amino]-5,6,7,8-tetrahydroquinolin-2-one (PubChem CID 118738951) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-6-[(5-methylpyrimidin-2-yl)amino]-5,6,7,8-tetrahydroquinolin-2-one.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-6-[(5-methylpyrimidin-2-yl)amino]-5,6,7,8-tetrahydroquinolin-2-one
PubChem CID118738951
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name1-(cyclopropylmethyl)-6-[(5-methylpyrimidin-2-yl)amino]-5,6,7,8-tetrahydroquinolin-2-one
SMILESCc1cnc(NC2CCc3c(ccc(=O)n3CC3CC3)C2)nc1
InChIInChI=1S/C18H22N4O/c1-12-9-19-18(20-10-12)21-15-5-6-16-14(8-15)4-7-17(23)22(16)11-13-2-3-13/h4,7,9-10,13,15H,2-3,5-6,8,11H2,1H3,(H,19,20,21)
InChIKeyVJBGODSXMWTZFG-UHFFFAOYSA-N
XLogP2.33
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(cyclopropylmethyl)-6-[(5-methylpyrimidin-2-yl)amino]-5,6,7,8-tetrahydroquinolin-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 1-(cyclopropylmethyl)-6-[(5-methylpyrimidin-2-yl)amino]-5,6,7,8-tetrahydroquinolin-2-one?
The IUPAC name of 1-(cyclopropylmethyl)-6-[(5-methylpyrimidin-2-yl)amino]-5,6,7,8-tetrahydroquinolin-2-one (CID 118738951) is 1-(cyclopropylmethyl)-6-[(5-methylpyrimidin-2-yl)amino]-5,6,7,8-tetrahydroquinolin-2-one.
What is the SMILES notation for 1-(cyclopropylmethyl)-6-[(5-methylpyrimidin-2-yl)amino]-5,6,7,8-tetrahydroquinolin-2-one?
The canonical SMILES for 1-(cyclopropylmethyl)-6-[(5-methylpyrimidin-2-yl)amino]-5,6,7,8-tetrahydroquinolin-2-one is Cc1cnc(NC2CCc3c(ccc(=O)n3CC3CC3)C2)nc1.
What is the InChIKey of 1-(cyclopropylmethyl)-6-[(5-methylpyrimidin-2-yl)amino]-5,6,7,8-tetrahydroquinolin-2-one?
The InChIKey is VJBGODSXMWTZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-12-9-19-18(20-10-12)21-15-5-6-16-14(8-15)4-7-17(23)22(16)11-13-2-3-13/h4,7,9-10,13,15H,2-3,5-6,8,11H2,1H3,(H,19,20,21).
What are the key properties of 1-(cyclopropylmethyl)-6-[(5-methylpyrimidin-2-yl)amino]-5,6,7,8-tetrahydroquinolin-2-one?
1-(cyclopropylmethyl)-6-[(5-methylpyrimidin-2-yl)amino]-5,6,7,8-tetrahydroquinolin-2-one has a molecular weight of 310.40 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-6-[(5-methylpyrimidin-2-yl)amino]-5,6,7,8-tetrahydroquinolin-2-one is sourced from PubChem (CID 118738951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).