methyl 2-chloro-4-methoxyquinazoline-7-carboxylate

C11H9ClN2O3 — CID 168967688

IUPACmethyl 2-chloro-4-methoxyquinazoline-7-carboxylate
SMILESCOC(=O)c1ccc2c(OC)nc(Cl)nc2c1
InChIInChI=1S/C11H9ClN2O3/c1-16-9-7-4-3-6(10(15)17-2)5-8(7)13-11(12)14-9/h3-5H,1-2H3
InChIKeyGQWZJDWVLZSAOT-UHFFFAOYSA-N
MW252.66 g/mol
LogP2.08
Rot. Bonds2

About methyl 2-chloro-4-methoxyquinazoline-7-carboxylate

methyl 2-chloro-4-methoxyquinazoline-7-carboxylate (PubChem CID 168967688) has the molecular formula C11H9ClN2O3 and a molecular weight of 252.66 g/mol. Its IUPAC name is methyl 2-chloro-4-methoxyquinazoline-7-carboxylate.

Molecular Properties

Compound Namemethyl 2-chloro-4-methoxyquinazoline-7-carboxylate
PubChem CID168967688
Molecular FormulaC11H9ClN2O3
Molecular Weight252.66 g/mol
Exact Mass252.03
IUPAC Namemethyl 2-chloro-4-methoxyquinazoline-7-carboxylate
SMILESCOC(=O)c1ccc2c(OC)nc(Cl)nc2c1
InChIInChI=1S/C11H9ClN2O3/c1-16-9-7-4-3-6(10(15)17-2)5-8(7)13-11(12)14-9/h3-5H,1-2H3
InChIKeyGQWZJDWVLZSAOT-UHFFFAOYSA-N
XLogP2.08
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.66
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-chlorobenzo[c][2,6]naphthyridine-8-carboxylate
CID 25252836
methyl 7-chlorophenazine-2-carboxylate
CID 154715967
4-methoxy-2-methylquinazoline-7-carboxamide
CID 169087321
methyl 2-(5-chlorothiophen-2-yl)-4-ethoxyquinazoline-7-carboxylate
CID 122423918
methyl 2-chloroquinoxaline-6-carboxylate
CID 131395472
methyl 5-chloro-6-methoxynaphthalene-2-carboxylate
CID 154003587
methyl 4-[(2-chloro-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]benzoate
CID 90317491
methyl 8-methoxyphenanthridine-3-carboxylate
CID 167513566
methyl phenazine-2-carboxylate
CID 617185
dimethyl quinoline-4,7-dicarboxylate
CID 100951662
dimethyl dibenzotellurophene-3,7-dicarboxylate
CID 162715291
methyl 2-methylsulfanyl-4-oxo-3H-quinazoline-7-carboxylate
CID 135657698

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-4-methoxyquinazoline-7-carboxylate?
The IUPAC name of methyl 2-chloro-4-methoxyquinazoline-7-carboxylate (CID 168967688) is methyl 2-chloro-4-methoxyquinazoline-7-carboxylate.
What is the SMILES notation for methyl 2-chloro-4-methoxyquinazoline-7-carboxylate?
The canonical SMILES for methyl 2-chloro-4-methoxyquinazoline-7-carboxylate is COC(=O)c1ccc2c(OC)nc(Cl)nc2c1.
What is the InChIKey of methyl 2-chloro-4-methoxyquinazoline-7-carboxylate?
The InChIKey is GQWZJDWVLZSAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O3/c1-16-9-7-4-3-6(10(15)17-2)5-8(7)13-11(12)14-9/h3-5H,1-2H3.
What are the key properties of methyl 2-chloro-4-methoxyquinazoline-7-carboxylate?
methyl 2-chloro-4-methoxyquinazoline-7-carboxylate has a molecular weight of 252.66 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-4-methoxyquinazoline-7-carboxylate is sourced from PubChem (CID 168967688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).