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

C14H10ClN3O2 — CID 170271414

IUPAC7-chloro-1-(2-methyl-3-pyridinyl)quinazoline-2,4-dione
SMILESCc1ncccc1-n1c(=O)[nH]c(=O)c2ccc(Cl)cc21
InChIInChI=1S/C14H10ClN3O2/c1-8-11(3-2-6-16-8)18-12-7-9(15)4-5-10(12)13(19)17-14(18)20/h2-7H,1H3,(H,17,19,20)
InChIKeyFTOJGDXQTILRAW-UHFFFAOYSA-N
MW287.71 g/mol
LogP2.04
Rot. Bonds1

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

7-chloro-1-(2-methyl-3-pyridinyl)quinazoline-2,4-dione (PubChem CID 170271414) has the molecular formula C14H10ClN3O2 and a molecular weight of 287.71 g/mol. Its IUPAC name is 7-chloro-1-(2-methyl-3-pyridinyl)quinazoline-2,4-dione.

Molecular Properties

Compound Name7-chloro-1-(2-methyl-3-pyridinyl)quinazoline-2,4-dione
PubChem CID170271414
Molecular FormulaC14H10ClN3O2
Molecular Weight287.71 g/mol
Exact Mass287.05
IUPAC Name7-chloro-1-(2-methyl-3-pyridinyl)quinazoline-2,4-dione
SMILESCc1ncccc1-n1c(=O)[nH]c(=O)c2ccc(Cl)cc21
InChIInChI=1S/C14H10ClN3O2/c1-8-11(3-2-6-16-8)18-12-7-9(15)4-5-10(12)13(19)17-14(18)20/h2-7H,1H3,(H,17,19,20)
InChIKeyFTOJGDXQTILRAW-UHFFFAOYSA-N
XLogP2.04
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.71
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-(2-methyl-3-pyridinyl)quinazoline-2,4-dione?
The IUPAC name of 7-chloro-1-(2-methyl-3-pyridinyl)quinazoline-2,4-dione (CID 170271414) is 7-chloro-1-(2-methyl-3-pyridinyl)quinazoline-2,4-dione.
What is the SMILES notation for 7-chloro-1-(2-methyl-3-pyridinyl)quinazoline-2,4-dione?
The canonical SMILES for 7-chloro-1-(2-methyl-3-pyridinyl)quinazoline-2,4-dione is Cc1ncccc1-n1c(=O)[nH]c(=O)c2ccc(Cl)cc21.
What is the InChIKey of 7-chloro-1-(2-methyl-3-pyridinyl)quinazoline-2,4-dione?
The InChIKey is FTOJGDXQTILRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O2/c1-8-11(3-2-6-16-8)18-12-7-9(15)4-5-10(12)13(19)17-14(18)20/h2-7H,1H3,(H,17,19,20).
What are the key properties of 7-chloro-1-(2-methyl-3-pyridinyl)quinazoline-2,4-dione?
7-chloro-1-(2-methyl-3-pyridinyl)quinazoline-2,4-dione has a molecular weight of 287.71 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-(2-methyl-3-pyridinyl)quinazoline-2,4-dione is sourced from PubChem (CID 170271414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).