3-(3-chloro-4-methoxyphenyl)-6,7,8-trimethoxyquinazolin-4-one

C18H17ClN2O5 — CID 171909660

IUPAC3-(3-chloro-4-methoxyphenyl)-6,7,8-trimethoxyquinazolin-4-one
SMILESCOc1ccc(-n2cnc3c(OC)c(OC)c(OC)cc3c2=O)cc1Cl
InChIInChI=1S/C18H17ClN2O5/c1-23-13-6-5-10(7-12(13)19)21-9-20-15-11(18(21)22)8-14(24-2)16(25-3)17(15)26-4/h5-9H,1-4H3
InChIKeyFKLOFVOTPKYPTF-UHFFFAOYSA-N
MW376.80 g/mol
LogP3.07
Rot. Bonds5

About 3-(3-chloro-4-methoxyphenyl)-6,7,8-trimethoxyquinazolin-4-one

3-(3-chloro-4-methoxyphenyl)-6,7,8-trimethoxyquinazolin-4-one (PubChem CID 171909660) has the molecular formula C18H17ClN2O5 and a molecular weight of 376.80 g/mol. Its IUPAC name is 3-(3-chloro-4-methoxyphenyl)-6,7,8-trimethoxyquinazolin-4-one.

Molecular Properties

Compound Name3-(3-chloro-4-methoxyphenyl)-6,7,8-trimethoxyquinazolin-4-one
PubChem CID171909660
Molecular FormulaC18H17ClN2O5
Molecular Weight376.80 g/mol
Exact Mass376.08
IUPAC Name3-(3-chloro-4-methoxyphenyl)-6,7,8-trimethoxyquinazolin-4-one
SMILESCOc1ccc(-n2cnc3c(OC)c(OC)c(OC)cc3c2=O)cc1Cl
InChIInChI=1S/C18H17ClN2O5/c1-23-13-6-5-10(7-12(13)19)21-9-20-15-11(18(21)22)8-14(24-2)16(25-3)17(15)26-4/h5-9H,1-4H3
InChIKeyFKLOFVOTPKYPTF-UHFFFAOYSA-N
XLogP3.07
TPSA71.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.80
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6,7,8-trimethoxy-3-(3-methoxyphenyl)quinazolin-4-one
CID 171906833
9-(3-chloro-4-methoxyphenyl)purin-6-amine
CID 171806311
1-[3-(3-chloro-4-methoxyphenyl)-4-oxoquinazoline-7-carbonyl]piperidine-4-carboxamide
CID 45495121
6,7-dimethoxy-3-(4-methoxyphenyl)quinazolin-4-one
CID 118722445
3-(3-chloro-4-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]-4-oxoquinazoline-7-carboxamide
CID 45491616
6-bromo-1-(3-chloro-4-methoxyphenyl)benzimidazole
CID 171806398
6,7,8-trimethoxy-3-[(5-methylthiophen-2-yl)methyl]quinazolin-4-one
CID 171386238
3-(4-aminobutyl)-6,7,8-trimethoxyquinazolin-4-one
CID 171910792
3-(3-chloro-4-methoxyphenyl)-4-oxo-N-(pyridin-3-ylmethyl)quinazoline-7-carboxamide
CID 45491897
1-(3-chloro-4-methoxyphenyl)-2-sulfanylidenepyrimidin-4-one
CID 62404842
4-(3-chloro-4-methoxyphenyl)-2-[dichloro(fluoro)methyl]sulfanyl-1,2,4-triazol-3-one
CID 12803487
3-(1,3-benzodioxol-5-yl)-6,7-dimethoxyquinazolin-4-one
CID 7749326

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methoxyphenyl)-6,7,8-trimethoxyquinazolin-4-one?
The IUPAC name of 3-(3-chloro-4-methoxyphenyl)-6,7,8-trimethoxyquinazolin-4-one (CID 171909660) is 3-(3-chloro-4-methoxyphenyl)-6,7,8-trimethoxyquinazolin-4-one.
What is the SMILES notation for 3-(3-chloro-4-methoxyphenyl)-6,7,8-trimethoxyquinazolin-4-one?
The canonical SMILES for 3-(3-chloro-4-methoxyphenyl)-6,7,8-trimethoxyquinazolin-4-one is COc1ccc(-n2cnc3c(OC)c(OC)c(OC)cc3c2=O)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-methoxyphenyl)-6,7,8-trimethoxyquinazolin-4-one?
The InChIKey is FKLOFVOTPKYPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O5/c1-23-13-6-5-10(7-12(13)19)21-9-20-15-11(18(21)22)8-14(24-2)16(25-3)17(15)26-4/h5-9H,1-4H3.
What are the key properties of 3-(3-chloro-4-methoxyphenyl)-6,7,8-trimethoxyquinazolin-4-one?
3-(3-chloro-4-methoxyphenyl)-6,7,8-trimethoxyquinazolin-4-one has a molecular weight of 376.80 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methoxyphenyl)-6,7,8-trimethoxyquinazolin-4-one is sourced from PubChem (CID 171909660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).