4-chloro-6-methoxy-7-phenylmethoxyquinazoline

C16H13ClN2O2 — CID 10661998

IUPAC4-chloro-6-methoxy-7-phenylmethoxyquinazoline
SMILESCOc1cc2c(Cl)ncnc2cc1OCc1ccccc1
InChIInChI=1S/C16H13ClN2O2/c1-20-14-7-12-13(18-10-19-16(12)17)8-15(14)21-9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3
InChIKeyLBGIYCBNJBHZSZ-UHFFFAOYSA-N
MW300.75 g/mol
LogP3.87
Rot. Bonds4

About 4-chloro-6-methoxy-7-phenylmethoxyquinazoline

4-chloro-6-methoxy-7-phenylmethoxyquinazoline (PubChem CID 10661998) has the molecular formula C16H13ClN2O2 and a molecular weight of 300.75 g/mol. Its IUPAC name is 4-chloro-6-methoxy-7-phenylmethoxyquinazoline.

Molecular Properties

Compound Name4-chloro-6-methoxy-7-phenylmethoxyquinazoline
PubChem CID10661998
Molecular FormulaC16H13ClN2O2
Molecular Weight300.75 g/mol
Exact Mass300.07
IUPAC Name4-chloro-6-methoxy-7-phenylmethoxyquinazoline
SMILESCOc1cc2c(Cl)ncnc2cc1OCc1ccccc1
InChIInChI=1S/C16H13ClN2O2/c1-20-14-7-12-13(18-10-19-16(12)17)8-15(14)21-9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3
InChIKeyLBGIYCBNJBHZSZ-UHFFFAOYSA-N
XLogP3.87
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-6-methoxy-7-(pyridin-3-ylmethoxy)quinazoline
CID 118112032
4-chloro-6-fluoro-7-phenylmethoxyquinazoline
CID 86605229
4-chloro-6-methoxy-7-phenylmethoxyquinolin-3-amine;ethane
CID 177004461
4-chloro-7-(3-chloropropoxy)-6-methoxyquinazoline
CID 57447227
4-chloro-3-isocyano-7-methoxy-6-phenylmethoxyquinoline
CID 155636883
7-(2-bromoethoxy)-4-chloro-6-methoxyquinazoline
CID 86761073
4-chloro-7-methoxy-6-prop-2-ynoxyquinazoline
CID 87139152
N-(4-chloro-2-fluorophenyl)-6-methoxy-7-phenylmethoxyquinazolin-4-amine;hydrochloride
CID 22478265
6,7-dimethoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine;hydrochloride
CID 67698355
4-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)piperazine-1-carboxylic acid
CID 22707591
N-(4-chloro-2-fluorophenyl)-6-methoxy-7-phenylmethoxyquinolin-4-amine
CID 22646600
2,3,6,7,10,11-hexakis(phenylmethoxy)triphenylene
CID 11040205

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methoxy-7-phenylmethoxyquinazoline?
The IUPAC name of 4-chloro-6-methoxy-7-phenylmethoxyquinazoline (CID 10661998) is 4-chloro-6-methoxy-7-phenylmethoxyquinazoline.
What is the SMILES notation for 4-chloro-6-methoxy-7-phenylmethoxyquinazoline?
The canonical SMILES for 4-chloro-6-methoxy-7-phenylmethoxyquinazoline is COc1cc2c(Cl)ncnc2cc1OCc1ccccc1.
What is the InChIKey of 4-chloro-6-methoxy-7-phenylmethoxyquinazoline?
The InChIKey is LBGIYCBNJBHZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2/c1-20-14-7-12-13(18-10-19-16(12)17)8-15(14)21-9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3.
What are the key properties of 4-chloro-6-methoxy-7-phenylmethoxyquinazoline?
4-chloro-6-methoxy-7-phenylmethoxyquinazoline has a molecular weight of 300.75 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methoxy-7-phenylmethoxyquinazoline is sourced from PubChem (CID 10661998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).