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

CID 2807156
CID 2807156
CID 3117363
CID 3117363
CID 139596634
CID 139596634
CID 10675
CID 10675
CID 300570
CID 300570
CID 659914
CID 659914
CID 6616154
CID 6616154
CID 10674
CID 10674
CID 126962549
CID 126962549
CID 16066792
CID 16066792
CID 25196743
CID 25196743
CID 25196850
CID 25196850

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).