7-(2-chlorophenyl)-3-(4-methyl-3-pyridinyl)-1H-quinazoline-2,4-dione

C20H14ClN3O2 — CID 170772629

IUPAC7-(2-chlorophenyl)-3-(4-methyl-3-pyridinyl)-1H-quinazoline-2,4-dione
SMILESCc1ccncc1-n1c(=O)[nH]c2cc(-c3ccccc3Cl)ccc2c1=O
InChIInChI=1S/C20H14ClN3O2/c1-12-8-9-22-11-18(12)24-19(25)15-7-6-13(10-17(15)23-20(24)26)14-4-2-3-5-16(14)21/h2-11H,1H3,(H,23,26)
InChIKeyOICJNIFTPWJAKX-UHFFFAOYSA-N
MW363.80 g/mol
LogP3.70
Rot. Bonds2

About 7-(2-chlorophenyl)-3-(4-methyl-3-pyridinyl)-1H-quinazoline-2,4-dione

7-(2-chlorophenyl)-3-(4-methyl-3-pyridinyl)-1H-quinazoline-2,4-dione (PubChem CID 170772629) has the molecular formula C20H14ClN3O2 and a molecular weight of 363.80 g/mol. Its IUPAC name is 7-(2-chlorophenyl)-3-(4-methyl-3-pyridinyl)-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name7-(2-chlorophenyl)-3-(4-methyl-3-pyridinyl)-1H-quinazoline-2,4-dione
PubChem CID170772629
Molecular FormulaC20H14ClN3O2
Molecular Weight363.80 g/mol
Exact Mass363.08
IUPAC Name7-(2-chlorophenyl)-3-(4-methyl-3-pyridinyl)-1H-quinazoline-2,4-dione
SMILESCc1ccncc1-n1c(=O)[nH]c2cc(-c3ccccc3Cl)ccc2c1=O
InChIInChI=1S/C20H14ClN3O2/c1-12-8-9-22-11-18(12)24-19(25)15-7-6-13(10-17(15)23-20(24)26)14-4-2-3-5-16(14)21/h2-11H,1H3,(H,23,26)
InChIKeyOICJNIFTPWJAKX-UHFFFAOYSA-N
XLogP3.70
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.80
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(2-chlorophenyl)-3-(4-methyl-3-pyridinyl)-1H-quinazoline-2,4-dione?
The IUPAC name of 7-(2-chlorophenyl)-3-(4-methyl-3-pyridinyl)-1H-quinazoline-2,4-dione (CID 170772629) is 7-(2-chlorophenyl)-3-(4-methyl-3-pyridinyl)-1H-quinazoline-2,4-dione.
What is the SMILES notation for 7-(2-chlorophenyl)-3-(4-methyl-3-pyridinyl)-1H-quinazoline-2,4-dione?
The canonical SMILES for 7-(2-chlorophenyl)-3-(4-methyl-3-pyridinyl)-1H-quinazoline-2,4-dione is Cc1ccncc1-n1c(=O)[nH]c2cc(-c3ccccc3Cl)ccc2c1=O.
What is the InChIKey of 7-(2-chlorophenyl)-3-(4-methyl-3-pyridinyl)-1H-quinazoline-2,4-dione?
The InChIKey is OICJNIFTPWJAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3O2/c1-12-8-9-22-11-18(12)24-19(25)15-7-6-13(10-17(15)23-20(24)26)14-4-2-3-5-16(14)21/h2-11H,1H3,(H,23,26).
What are the key properties of 7-(2-chlorophenyl)-3-(4-methyl-3-pyridinyl)-1H-quinazoline-2,4-dione?
7-(2-chlorophenyl)-3-(4-methyl-3-pyridinyl)-1H-quinazoline-2,4-dione has a molecular weight of 363.80 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-chlorophenyl)-3-(4-methyl-3-pyridinyl)-1H-quinazoline-2,4-dione is sourced from PubChem (CID 170772629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).