4-[1-(3-chlorophenyl)ethyl]-6,7-dimethoxyquinazoline

C18H17ClN2O2 — CID 122184999

IUPAC4-[1-(3-chlorophenyl)ethyl]-6,7-dimethoxyquinazoline
SMILESCOc1cc2ncnc(C(C)c3cccc(Cl)c3)c2cc1OC
InChIInChI=1S/C18H17ClN2O2/c1-11(12-5-4-6-13(19)7-12)18-14-8-16(22-2)17(23-3)9-15(14)20-10-21-18/h4-11H,1-3H3
InChIKeyROVZHCNAFFDJBQ-UHFFFAOYSA-N
MW328.80 g/mol
LogP4.45
Rot. Bonds4

About 4-[1-(3-chlorophenyl)ethyl]-6,7-dimethoxyquinazoline

4-[1-(3-chlorophenyl)ethyl]-6,7-dimethoxyquinazoline (PubChem CID 122184999) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is 4-[1-(3-chlorophenyl)ethyl]-6,7-dimethoxyquinazoline.

Molecular Properties

Compound Name4-[1-(3-chlorophenyl)ethyl]-6,7-dimethoxyquinazoline
PubChem CID122184999
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC Name4-[1-(3-chlorophenyl)ethyl]-6,7-dimethoxyquinazoline
SMILESCOc1cc2ncnc(C(C)c3cccc(Cl)c3)c2cc1OC
InChIInChI=1S/C18H17ClN2O2/c1-11(12-5-4-6-13(19)7-12)18-14-8-16(22-2)17(23-3)9-15(14)20-10-21-18/h4-11H,1-3H3
InChIKeyROVZHCNAFFDJBQ-UHFFFAOYSA-N
XLogP4.45
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(fluoromethoxy)-7-methoxy-4-propan-2-ylquinazoline
CID 164758170
N-[3-(3-chlorophenoxy)phenyl]-6,7-dimethoxyquinazolin-4-amine
CID 122628510
4-chloro-6-methoxy-7-phenylmethoxyquinazoline
CID 10661998
(3-chlorophenyl)-(2,4,5-trimethoxyphenyl)methanamine
CID 115811290
7-chloro-N-[2-(3-chlorophenyl)propyl]quinazolin-4-amine
CID 166321938
N-(3-chlorophenyl)-7-methoxy-6-methylquinazolin-4-amine
CID 163979167
6,7-dimethoxy-4-methylquinazoline
CID 4319422
N-[4-(3-chlorophenoxy)-2-methylphenyl]-6,7-dimethoxyquinazolin-4-amine
CID 122628743
3-chloro-N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzamide
CID 162673382
4-chloro-7-(3-chloropropoxy)-6-methoxyquinazoline
CID 57447227
7-(2-bromoethoxy)-4-chloro-6-methoxyquinazoline
CID 86761073
1-chloro-3-(1-methoxyethyl)benzene
CID 19931374

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-chlorophenyl)ethyl]-6,7-dimethoxyquinazoline?
The IUPAC name of 4-[1-(3-chlorophenyl)ethyl]-6,7-dimethoxyquinazoline (CID 122184999) is 4-[1-(3-chlorophenyl)ethyl]-6,7-dimethoxyquinazoline.
What is the SMILES notation for 4-[1-(3-chlorophenyl)ethyl]-6,7-dimethoxyquinazoline?
The canonical SMILES for 4-[1-(3-chlorophenyl)ethyl]-6,7-dimethoxyquinazoline is COc1cc2ncnc(C(C)c3cccc(Cl)c3)c2cc1OC.
What is the InChIKey of 4-[1-(3-chlorophenyl)ethyl]-6,7-dimethoxyquinazoline?
The InChIKey is ROVZHCNAFFDJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c1-11(12-5-4-6-13(19)7-12)18-14-8-16(22-2)17(23-3)9-15(14)20-10-21-18/h4-11H,1-3H3.
What are the key properties of 4-[1-(3-chlorophenyl)ethyl]-6,7-dimethoxyquinazoline?
4-[1-(3-chlorophenyl)ethyl]-6,7-dimethoxyquinazoline has a molecular weight of 328.80 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-chlorophenyl)ethyl]-6,7-dimethoxyquinazoline is sourced from PubChem (CID 122184999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).