7-chloro-5-methoxy-1-(2-methyl-3-pyridinyl)quinazoline-2,4-dione

C15H12ClN3O3 — CID 170271302

IUPAC7-chloro-5-methoxy-1-(2-methyl-3-pyridinyl)quinazoline-2,4-dione
SMILESCOc1cc(Cl)cc2c1c(=O)[nH]c(=O)n2-c1cccnc1C
InChIInChI=1S/C15H12ClN3O3/c1-8-10(4-3-5-17-8)19-11-6-9(16)7-12(22-2)13(11)14(20)18-15(19)21/h3-7H,1-2H3,(H,18,20,21)
InChIKeyNUPDXYYVHRITOE-UHFFFAOYSA-N
MW317.73 g/mol
LogP2.04
Rot. Bonds2

About 7-chloro-5-methoxy-1-(2-methyl-3-pyridinyl)quinazoline-2,4-dione

7-chloro-5-methoxy-1-(2-methyl-3-pyridinyl)quinazoline-2,4-dione (PubChem CID 170271302) has the molecular formula C15H12ClN3O3 and a molecular weight of 317.73 g/mol. Its IUPAC name is 7-chloro-5-methoxy-1-(2-methyl-3-pyridinyl)quinazoline-2,4-dione.

Molecular Properties

Compound Name7-chloro-5-methoxy-1-(2-methyl-3-pyridinyl)quinazoline-2,4-dione
PubChem CID170271302
Molecular FormulaC15H12ClN3O3
Molecular Weight317.73 g/mol
Exact Mass317.06
IUPAC Name7-chloro-5-methoxy-1-(2-methyl-3-pyridinyl)quinazoline-2,4-dione
SMILESCOc1cc(Cl)cc2c1c(=O)[nH]c(=O)n2-c1cccnc1C
InChIInChI=1S/C15H12ClN3O3/c1-8-10(4-3-5-17-8)19-11-6-9(16)7-12(22-2)13(11)14(20)18-15(19)21/h3-7H,1-2H3,(H,18,20,21)
InChIKeyNUPDXYYVHRITOE-UHFFFAOYSA-N
XLogP2.04
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.73
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-methoxy-1-(2-methyl-3-pyridinyl)quinazoline-2,4-dione?
The IUPAC name of 7-chloro-5-methoxy-1-(2-methyl-3-pyridinyl)quinazoline-2,4-dione (CID 170271302) is 7-chloro-5-methoxy-1-(2-methyl-3-pyridinyl)quinazoline-2,4-dione.
What is the SMILES notation for 7-chloro-5-methoxy-1-(2-methyl-3-pyridinyl)quinazoline-2,4-dione?
The canonical SMILES for 7-chloro-5-methoxy-1-(2-methyl-3-pyridinyl)quinazoline-2,4-dione is COc1cc(Cl)cc2c1c(=O)[nH]c(=O)n2-c1cccnc1C.
What is the InChIKey of 7-chloro-5-methoxy-1-(2-methyl-3-pyridinyl)quinazoline-2,4-dione?
The InChIKey is NUPDXYYVHRITOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O3/c1-8-10(4-3-5-17-8)19-11-6-9(16)7-12(22-2)13(11)14(20)18-15(19)21/h3-7H,1-2H3,(H,18,20,21).
What are the key properties of 7-chloro-5-methoxy-1-(2-methyl-3-pyridinyl)quinazoline-2,4-dione?
7-chloro-5-methoxy-1-(2-methyl-3-pyridinyl)quinazoline-2,4-dione has a molecular weight of 317.73 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-methoxy-1-(2-methyl-3-pyridinyl)quinazoline-2,4-dione is sourced from PubChem (CID 170271302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).