4-chloro-6,7-dimethoxy-2-(3-methoxyphenyl)quinazoline

C17H15ClN2O3 — CID 57328585

IUPAC4-chloro-6,7-dimethoxy-2-(3-methoxyphenyl)quinazoline
SMILESCOc1cccc(-c2nc(Cl)c3cc(OC)c(OC)cc3n2)c1
InChIInChI=1S/C17H15ClN2O3/c1-21-11-6-4-5-10(7-11)17-19-13-9-15(23-3)14(22-2)8-12(13)16(18)20-17/h4-9H,1-3H3
InChIKeyBTIXJFSVNSPRAO-UHFFFAOYSA-N
MW330.77 g/mol
LogP3.98
Rot. Bonds4

About 4-chloro-6,7-dimethoxy-2-(3-methoxyphenyl)quinazoline

4-chloro-6,7-dimethoxy-2-(3-methoxyphenyl)quinazoline (PubChem CID 57328585) has the molecular formula C17H15ClN2O3 and a molecular weight of 330.77 g/mol. Its IUPAC name is 4-chloro-6,7-dimethoxy-2-(3-methoxyphenyl)quinazoline.

Molecular Properties

Compound Name4-chloro-6,7-dimethoxy-2-(3-methoxyphenyl)quinazoline
PubChem CID57328585
Molecular FormulaC17H15ClN2O3
Molecular Weight330.77 g/mol
Exact Mass330.08
IUPAC Name4-chloro-6,7-dimethoxy-2-(3-methoxyphenyl)quinazoline
SMILESCOc1cccc(-c2nc(Cl)c3cc(OC)c(OC)cc3n2)c1
InChIInChI=1S/C17H15ClN2O3/c1-21-11-6-4-5-10(7-11)17-19-13-9-15(23-3)14(22-2)8-12(13)16(18)20-17/h4-9H,1-3H3
InChIKeyBTIXJFSVNSPRAO-UHFFFAOYSA-N
XLogP3.98
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.77
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-2-(3-methoxyphenyl)-7-methylquinazoline
CID 174533075
4-chloro-6,7-dimethoxy-2-pyridin-3-ylquinazoline
CID 15284500
6-bromo-4-chloro-7-fluoro-2-(3-methoxyphenyl)quinazoline
CID 114591292
7-bromo-4-chloro-2-(3-methoxyphenyl)quinazoline
CID 114590534
4,6-dichloro-5-fluoro-2-(3-methoxyphenyl)pyrimidine
CID 80550230
4-chloro-2-(3-methoxyphenyl)thieno[2,3-d]pyrimidine
CID 62178883
4-chloro-8-fluoro-2-(3-methoxyphenyl)quinazoline
CID 114590465
4-chloro-6-methoxy-2-(3-methoxyphenyl)pyrimidine
CID 82169427
4-chloro-6-(5-methoxy-3-pyridinyl)-2-pyridin-3-ylquinazoline
CID 89417196
5-bromo-4-tert-butyl-6-chloro-2-(3-methoxyphenyl)pyrimidine
CID 66293580
2-(3-methoxyphenyl)-7-methylquinazolin-4-amine
CID 71193032
7-fluoro-2-(3-methoxyphenyl)quinazolin-4-amine
CID 64983270

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6,7-dimethoxy-2-(3-methoxyphenyl)quinazoline?
The IUPAC name of 4-chloro-6,7-dimethoxy-2-(3-methoxyphenyl)quinazoline (CID 57328585) is 4-chloro-6,7-dimethoxy-2-(3-methoxyphenyl)quinazoline.
What is the SMILES notation for 4-chloro-6,7-dimethoxy-2-(3-methoxyphenyl)quinazoline?
The canonical SMILES for 4-chloro-6,7-dimethoxy-2-(3-methoxyphenyl)quinazoline is COc1cccc(-c2nc(Cl)c3cc(OC)c(OC)cc3n2)c1.
What is the InChIKey of 4-chloro-6,7-dimethoxy-2-(3-methoxyphenyl)quinazoline?
The InChIKey is BTIXJFSVNSPRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O3/c1-21-11-6-4-5-10(7-11)17-19-13-9-15(23-3)14(22-2)8-12(13)16(18)20-17/h4-9H,1-3H3.
What are the key properties of 4-chloro-6,7-dimethoxy-2-(3-methoxyphenyl)quinazoline?
4-chloro-6,7-dimethoxy-2-(3-methoxyphenyl)quinazoline has a molecular weight of 330.77 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6,7-dimethoxy-2-(3-methoxyphenyl)quinazoline is sourced from PubChem (CID 57328585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).