1-[(2-chlorophenyl)methyl]-3-methylquinazoline-2,4-dione

C16H13ClN2O2 — CID 944822

IUPAC1-[(2-chlorophenyl)methyl]-3-methylquinazoline-2,4-dione
SMILESCn1c(=O)c2ccccc2n(Cc2ccccc2Cl)c1=O
InChIInChI=1S/C16H13ClN2O2/c1-18-15(20)12-7-3-5-9-14(12)19(16(18)21)10-11-6-2-4-8-13(11)17/h2-9H,10H2,1H3
InChIKeyRFCWETFCHGYRBM-UHFFFAOYSA-N
MW300.75 g/mol
LogP2.40
Rot. Bonds2

About 1-[(2-chlorophenyl)methyl]-3-methylquinazoline-2,4-dione

1-[(2-chlorophenyl)methyl]-3-methylquinazoline-2,4-dione (PubChem CID 944822) has the molecular formula C16H13ClN2O2 and a molecular weight of 300.75 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-3-methylquinazoline-2,4-dione.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-3-methylquinazoline-2,4-dione
PubChem CID944822
Molecular FormulaC16H13ClN2O2
Molecular Weight300.75 g/mol
Exact Mass300.07
IUPAC Name1-[(2-chlorophenyl)methyl]-3-methylquinazoline-2,4-dione
SMILESCn1c(=O)c2ccccc2n(Cc2ccccc2Cl)c1=O
InChIInChI=1S/C16H13ClN2O2/c1-18-15(20)12-7-3-5-9-14(12)19(16(18)21)10-11-6-2-4-8-13(11)17/h2-9H,10H2,1H3
InChIKeyRFCWETFCHGYRBM-UHFFFAOYSA-N
XLogP2.40
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-chlorophenyl)methyl]-1-[(4-methylphenyl)methyl]quinazoline-2,4-dione
CID 15988071
3-(3-chlorophenyl)-1-[(2-chlorophenyl)methyl]quinazoline-2,4-dione
CID 17147919
1-[(2-chlorophenyl)methyl]-3-(3,4-dichlorophenyl)quinazoline-2,4-dione
CID 17159909
1-[(2-chlorophenyl)methyl]-3-(furan-2-ylmethyl)quinazoline-2,4-dione
CID 4618338
1-[(2,3-dichlorophenyl)methyl]-3-methylbenzimidazol-2-one
CID 107310149
6-[(2-chlorophenyl)methyl]benzo[d][2]benzazepine-5,7-dione
CID 17129349
1-[(2-chlorophenyl)methyl]-4-hydroxyquinolin-2-one
CID 54679720
3,5-bis[(2-chlorophenyl)methyl]pyrimido[5,4-b]indol-4-one
CID 53026433
1-[(2-chloro-4-methylphenyl)methyl]-3-methylbenzimidazol-2-one
CID 106869994
N-[(4-chlorophenyl)methyl]-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 6502441
N-[(2-chlorophenyl)methyl]-4-[2,4-dioxo-1-[(2,4,6-trimethylphenyl)methyl]quinazolin-3-yl]butanamide
CID 2134273
N-[(2-chlorophenyl)methyl]-4-[[1-[(2-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]benzamide
CID 22429981

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-3-methylquinazoline-2,4-dione?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-3-methylquinazoline-2,4-dione (CID 944822) is 1-[(2-chlorophenyl)methyl]-3-methylquinazoline-2,4-dione.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-3-methylquinazoline-2,4-dione?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-3-methylquinazoline-2,4-dione is Cn1c(=O)c2ccccc2n(Cc2ccccc2Cl)c1=O.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-3-methylquinazoline-2,4-dione?
The InChIKey is RFCWETFCHGYRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2/c1-18-15(20)12-7-3-5-9-14(12)19(16(18)21)10-11-6-2-4-8-13(11)17/h2-9H,10H2,1H3.
What are the key properties of 1-[(2-chlorophenyl)methyl]-3-methylquinazoline-2,4-dione?
1-[(2-chlorophenyl)methyl]-3-methylquinazoline-2,4-dione has a molecular weight of 300.75 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-3-methylquinazoline-2,4-dione is sourced from PubChem (CID 944822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).