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

C23H19ClN2O2 — CID 15988071

IUPAC3-[(2-chlorophenyl)methyl]-1-[(4-methylphenyl)methyl]quinazoline-2,4-dione
SMILESCc1ccc(Cn2c(=O)n(Cc3ccccc3Cl)c(=O)c3ccccc32)cc1
InChIInChI=1S/C23H19ClN2O2/c1-16-10-12-17(13-11-16)14-25-21-9-5-3-7-19(21)22(27)26(23(25)28)15-18-6-2-4-8-20(18)24/h2-13H,14-15H2,1H3
InChIKeyUQSGIACUURMWRQ-UHFFFAOYSA-N
MW390.87 g/mol
LogP4.22
Rot. Bonds4

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

3-[(2-chlorophenyl)methyl]-1-[(4-methylphenyl)methyl]quinazoline-2,4-dione (PubChem CID 15988071) has the molecular formula C23H19ClN2O2 and a molecular weight of 390.87 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methyl]-1-[(4-methylphenyl)methyl]quinazoline-2,4-dione.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methyl]-1-[(4-methylphenyl)methyl]quinazoline-2,4-dione
PubChem CID15988071
Molecular FormulaC23H19ClN2O2
Molecular Weight390.87 g/mol
Exact Mass390.11
IUPAC Name3-[(2-chlorophenyl)methyl]-1-[(4-methylphenyl)methyl]quinazoline-2,4-dione
SMILESCc1ccc(Cn2c(=O)n(Cc3ccccc3Cl)c(=O)c3ccccc32)cc1
InChIInChI=1S/C23H19ClN2O2/c1-16-10-12-17(13-11-16)14-25-21-9-5-3-7-19(21)22(27)26(23(25)28)15-18-6-2-4-8-20(18)24/h2-13H,14-15H2,1H3
InChIKeyUQSGIACUURMWRQ-UHFFFAOYSA-N
XLogP4.22
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-chlorophenyl)methyl]-3-methylquinazoline-2,4-dione
CID 944822
1,3-bis[(4-chlorophenyl)methyl]quinazoline-2,4-dione
CID 1241199
1-[(2-chlorophenyl)methyl]-3-(furan-2-ylmethyl)quinazoline-2,4-dione
CID 4618338
N-[(2-chlorophenyl)methyl]-4-[[1-[(2-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]benzamide
CID 22429981
3-(3,4-dichlorophenyl)-1-[(4-methylphenyl)methyl]quinazoline-2,4-dione
CID 17159912
4-[[1-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-[(4-methylphenyl)methyl]benzamide
CID 22429968
N-[(2-chlorophenyl)methyl]-4-[[1-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]benzamide
CID 22429984
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
3-(3-chlorophenyl)-1-[(4-methylphenyl)methyl]quinazoline-2,4-dione
CID 17147921
6-[(2-chlorophenyl)methyl]benzo[d][2]benzazepine-5,7-dione
CID 17129349
N-(4-chlorophenyl)-2-[3-[(4-methylphenyl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 45030617

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methyl]-1-[(4-methylphenyl)methyl]quinazoline-2,4-dione?
The IUPAC name of 3-[(2-chlorophenyl)methyl]-1-[(4-methylphenyl)methyl]quinazoline-2,4-dione (CID 15988071) is 3-[(2-chlorophenyl)methyl]-1-[(4-methylphenyl)methyl]quinazoline-2,4-dione.
What is the SMILES notation for 3-[(2-chlorophenyl)methyl]-1-[(4-methylphenyl)methyl]quinazoline-2,4-dione?
The canonical SMILES for 3-[(2-chlorophenyl)methyl]-1-[(4-methylphenyl)methyl]quinazoline-2,4-dione is Cc1ccc(Cn2c(=O)n(Cc3ccccc3Cl)c(=O)c3ccccc32)cc1.
What is the InChIKey of 3-[(2-chlorophenyl)methyl]-1-[(4-methylphenyl)methyl]quinazoline-2,4-dione?
The InChIKey is UQSGIACUURMWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O2/c1-16-10-12-17(13-11-16)14-25-21-9-5-3-7-19(21)22(27)26(23(25)28)15-18-6-2-4-8-20(18)24/h2-13H,14-15H2,1H3.
What are the key properties of 3-[(2-chlorophenyl)methyl]-1-[(4-methylphenyl)methyl]quinazoline-2,4-dione?
3-[(2-chlorophenyl)methyl]-1-[(4-methylphenyl)methyl]quinazoline-2,4-dione has a molecular weight of 390.87 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methyl]-1-[(4-methylphenyl)methyl]quinazoline-2,4-dione is sourced from PubChem (CID 15988071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).