6-chloro-7-methoxy-3-([1,2,4]triazolo[4,3-a]pyridin-7-ylmethyl)-1H-quinazoline-2,4-dione

C16H12ClN5O3 — CID 167834532

IUPAC6-chloro-7-methoxy-3-([1,2,4]triazolo[4,3-a]pyridin-7-ylmethyl)-1H-quinazoline-2,4-dione
SMILESCOc1cc2[nH]c(=O)n(Cc3ccn4cnnc4c3)c(=O)c2cc1Cl
InChIInChI=1S/C16H12ClN5O3/c1-25-13-6-12-10(5-11(13)17)15(23)22(16(24)19-12)7-9-2-3-21-8-18-20-14(21)4-9/h2-6,8H,7H2,1H3,(H,19,24)
InChIKeyVXAIFWVWUGTVNL-UHFFFAOYSA-N
MW357.76 g/mol
LogP1.44
Rot. Bonds3

About 6-chloro-7-methoxy-3-([1,2,4]triazolo[4,3-a]pyridin-7-ylmethyl)-1H-quinazoline-2,4-dione

6-chloro-7-methoxy-3-([1,2,4]triazolo[4,3-a]pyridin-7-ylmethyl)-1H-quinazoline-2,4-dione (PubChem CID 167834532) has the molecular formula C16H12ClN5O3 and a molecular weight of 357.76 g/mol. Its IUPAC name is 6-chloro-7-methoxy-3-([1,2,4]triazolo[4,3-a]pyridin-7-ylmethyl)-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name6-chloro-7-methoxy-3-([1,2,4]triazolo[4,3-a]pyridin-7-ylmethyl)-1H-quinazoline-2,4-dione
PubChem CID167834532
Molecular FormulaC16H12ClN5O3
Molecular Weight357.76 g/mol
Exact Mass357.06
IUPAC Name6-chloro-7-methoxy-3-([1,2,4]triazolo[4,3-a]pyridin-7-ylmethyl)-1H-quinazoline-2,4-dione
SMILESCOc1cc2[nH]c(=O)n(Cc3ccn4cnnc4c3)c(=O)c2cc1Cl
InChIInChI=1S/C16H12ClN5O3/c1-25-13-6-12-10(5-11(13)17)15(23)22(16(24)19-12)7-9-2-3-21-8-18-20-14(21)4-9/h2-6,8H,7H2,1H3,(H,19,24)
InChIKeyVXAIFWVWUGTVNL-UHFFFAOYSA-N
XLogP1.44
TPSA94.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.76
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-chloro-7-methoxy-3-([1,2,4]triazolo[4,3-a]pyridin-7-ylmethyl)-1H-quinazoline-2,4-dione with MolForge

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Related Compounds

6-chloro-3-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-7-methoxy-1H-quinazoline-2,4-dione
CID 167881015
6-chloro-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]-7-methoxy-1H-quinazoline-2,4-dione
CID 167868461
6,7-dimethoxy-3-propyl-1H-quinazoline-2,4-dione
CID 94075074
4-[(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-(4-methylphenyl)benzamide
CID 50793239
4-[(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-(4-fluorophenyl)benzamide
CID 50793209
3-[(4-methoxyphenyl)methyl]-6-methyl-1H-quinazoline-2,4-dione
CID 22449593
4-[(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-(1-phenylethyl)benzamide
CID 50793231
N-(5-chloro-2,4-dimethoxyphenyl)-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 55811394
3-benzyl-7-methyl-1H-quinazoline-2,4-dione
CID 117261590
1-benzyl-6-(3,4-dimethoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 110171948
2-[7-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-2,4-dioxo-1H-quinazolin-3-yl]acetic acid
CID 69043101
6,7-dichloro-3-(2-methylsulfonylethyl)-1H-quinazoline-2,4-dione
CID 167878821

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-methoxy-3-([1,2,4]triazolo[4,3-a]pyridin-7-ylmethyl)-1H-quinazoline-2,4-dione?
The IUPAC name of 6-chloro-7-methoxy-3-([1,2,4]triazolo[4,3-a]pyridin-7-ylmethyl)-1H-quinazoline-2,4-dione (CID 167834532) is 6-chloro-7-methoxy-3-([1,2,4]triazolo[4,3-a]pyridin-7-ylmethyl)-1H-quinazoline-2,4-dione.
What is the SMILES notation for 6-chloro-7-methoxy-3-([1,2,4]triazolo[4,3-a]pyridin-7-ylmethyl)-1H-quinazoline-2,4-dione?
The canonical SMILES for 6-chloro-7-methoxy-3-([1,2,4]triazolo[4,3-a]pyridin-7-ylmethyl)-1H-quinazoline-2,4-dione is COc1cc2[nH]c(=O)n(Cc3ccn4cnnc4c3)c(=O)c2cc1Cl.
What is the InChIKey of 6-chloro-7-methoxy-3-([1,2,4]triazolo[4,3-a]pyridin-7-ylmethyl)-1H-quinazoline-2,4-dione?
The InChIKey is VXAIFWVWUGTVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN5O3/c1-25-13-6-12-10(5-11(13)17)15(23)22(16(24)19-12)7-9-2-3-21-8-18-20-14(21)4-9/h2-6,8H,7H2,1H3,(H,19,24).
What are the key properties of 6-chloro-7-methoxy-3-([1,2,4]triazolo[4,3-a]pyridin-7-ylmethyl)-1H-quinazoline-2,4-dione?
6-chloro-7-methoxy-3-([1,2,4]triazolo[4,3-a]pyridin-7-ylmethyl)-1H-quinazoline-2,4-dione has a molecular weight of 357.76 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-methoxy-3-([1,2,4]triazolo[4,3-a]pyridin-7-ylmethyl)-1H-quinazoline-2,4-dione is sourced from PubChem (CID 167834532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).