2-[4-(2-chloroethoxy)phenyl]-8-methoxy-3-(4-methoxyphenyl)quinazolin-4-one

C24H21ClN2O4 — CID 15870882

IUPAC2-[4-(2-chloroethoxy)phenyl]-8-methoxy-3-(4-methoxyphenyl)quinazolin-4-one
SMILESCOc1ccc(-n2c(-c3ccc(OCCCl)cc3)nc3c(OC)cccc3c2=O)cc1
InChIInChI=1S/C24H21ClN2O4/c1-29-18-12-8-17(9-13-18)27-23(16-6-10-19(11-7-16)31-15-14-25)26-22-20(24(27)28)4-3-5-21(22)30-2/h3-13H,14-15H2,1-2H3
InChIKeyKVKJQWUMMMBTJX-UHFFFAOYSA-N
MW436.90 g/mol
LogP4.69
Rot. Bonds7

About 2-[4-(2-chloroethoxy)phenyl]-8-methoxy-3-(4-methoxyphenyl)quinazolin-4-one

2-[4-(2-chloroethoxy)phenyl]-8-methoxy-3-(4-methoxyphenyl)quinazolin-4-one (PubChem CID 15870882) has the molecular formula C24H21ClN2O4 and a molecular weight of 436.90 g/mol. Its IUPAC name is 2-[4-(2-chloroethoxy)phenyl]-8-methoxy-3-(4-methoxyphenyl)quinazolin-4-one.

Molecular Properties

Compound Name2-[4-(2-chloroethoxy)phenyl]-8-methoxy-3-(4-methoxyphenyl)quinazolin-4-one
PubChem CID15870882
Molecular FormulaC24H21ClN2O4
Molecular Weight436.90 g/mol
Exact Mass436.12
IUPAC Name2-[4-(2-chloroethoxy)phenyl]-8-methoxy-3-(4-methoxyphenyl)quinazolin-4-one
SMILESCOc1ccc(-n2c(-c3ccc(OCCCl)cc3)nc3c(OC)cccc3c2=O)cc1
InChIInChI=1S/C24H21ClN2O4/c1-29-18-12-8-17(9-13-18)27-23(16-6-10-19(11-7-16)31-15-14-25)26-22-20(24(27)28)4-3-5-21(22)30-2/h3-13H,14-15H2,1-2H3
InChIKeyKVKJQWUMMMBTJX-UHFFFAOYSA-N
XLogP4.69
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.90
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chloroethoxy)phenyl]-8-methoxy-3-(4-methoxyphenyl)quinazolin-4-one?
The IUPAC name of 2-[4-(2-chloroethoxy)phenyl]-8-methoxy-3-(4-methoxyphenyl)quinazolin-4-one (CID 15870882) is 2-[4-(2-chloroethoxy)phenyl]-8-methoxy-3-(4-methoxyphenyl)quinazolin-4-one.
What is the SMILES notation for 2-[4-(2-chloroethoxy)phenyl]-8-methoxy-3-(4-methoxyphenyl)quinazolin-4-one?
The canonical SMILES for 2-[4-(2-chloroethoxy)phenyl]-8-methoxy-3-(4-methoxyphenyl)quinazolin-4-one is COc1ccc(-n2c(-c3ccc(OCCCl)cc3)nc3c(OC)cccc3c2=O)cc1.
What is the InChIKey of 2-[4-(2-chloroethoxy)phenyl]-8-methoxy-3-(4-methoxyphenyl)quinazolin-4-one?
The InChIKey is KVKJQWUMMMBTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O4/c1-29-18-12-8-17(9-13-18)27-23(16-6-10-19(11-7-16)31-15-14-25)26-22-20(24(27)28)4-3-5-21(22)30-2/h3-13H,14-15H2,1-2H3.
What are the key properties of 2-[4-(2-chloroethoxy)phenyl]-8-methoxy-3-(4-methoxyphenyl)quinazolin-4-one?
2-[4-(2-chloroethoxy)phenyl]-8-methoxy-3-(4-methoxyphenyl)quinazolin-4-one has a molecular weight of 436.90 g/mol, XLogP of 4.69, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chloroethoxy)phenyl]-8-methoxy-3-(4-methoxyphenyl)quinazolin-4-one is sourced from PubChem (CID 15870882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).