4-(2-chloroquinolin-3-yl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinazoline-2,5-dione

C19H18ClN3O2 — CID 5136458

IUPAC4-(2-chloroquinolin-3-yl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinazoline-2,5-dione
SMILESCC1(C)CC(=O)C2=C(C1)NC(=O)NC2c1cc2ccccc2nc1Cl
InChIInChI=1S/C19H18ClN3O2/c1-19(2)8-13-15(14(24)9-19)16(23-18(25)22-13)11-7-10-5-3-4-6-12(10)21-17(11)20/h3-7,16H,8-9H2,1-2H3,(H2,22,23,25)
InChIKeyFQQYPESMLDVAHB-UHFFFAOYSA-N
MW355.83 g/mol
LogP3.89
Rot. Bonds1

About 4-(2-chloroquinolin-3-yl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinazoline-2,5-dione

4-(2-chloroquinolin-3-yl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinazoline-2,5-dione (PubChem CID 5136458) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is 4-(2-chloroquinolin-3-yl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinazoline-2,5-dione.

Molecular Properties

Compound Name4-(2-chloroquinolin-3-yl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinazoline-2,5-dione
PubChem CID5136458
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC Name4-(2-chloroquinolin-3-yl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinazoline-2,5-dione
SMILESCC1(C)CC(=O)C2=C(C1)NC(=O)NC2c1cc2ccccc2nc1Cl
InChIInChI=1S/C19H18ClN3O2/c1-19(2)8-13-15(14(24)9-19)16(23-18(25)22-13)11-7-10-5-3-4-6-12(10)21-17(11)20/h3-7,16H,8-9H2,1-2H3,(H2,22,23,25)
InChIKeyFQQYPESMLDVAHB-UHFFFAOYSA-N
XLogP3.89
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 4-(2-chloroquinolin-3-yl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinazoline-2,5-dione 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-(2-chloroquinolin-3-yl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinazoline-2,5-dione?
The IUPAC name of 4-(2-chloroquinolin-3-yl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinazoline-2,5-dione (CID 5136458) is 4-(2-chloroquinolin-3-yl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinazoline-2,5-dione.
What is the SMILES notation for 4-(2-chloroquinolin-3-yl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinazoline-2,5-dione?
The canonical SMILES for 4-(2-chloroquinolin-3-yl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinazoline-2,5-dione is CC1(C)CC(=O)C2=C(C1)NC(=O)NC2c1cc2ccccc2nc1Cl.
What is the InChIKey of 4-(2-chloroquinolin-3-yl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinazoline-2,5-dione?
The InChIKey is FQQYPESMLDVAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c1-19(2)8-13-15(14(24)9-19)16(23-18(25)22-13)11-7-10-5-3-4-6-12(10)21-17(11)20/h3-7,16H,8-9H2,1-2H3,(H2,22,23,25).
What are the key properties of 4-(2-chloroquinolin-3-yl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinazoline-2,5-dione?
4-(2-chloroquinolin-3-yl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinazoline-2,5-dione has a molecular weight of 355.83 g/mol, XLogP of 3.89, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroquinolin-3-yl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinazoline-2,5-dione is sourced from PubChem (CID 5136458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).