methyl 6-chloro-4-(2-chlorophenyl)quinazoline-2-carboxylate

C16H10Cl2N2O2 — CID 121005439

IUPACmethyl 6-chloro-4-(2-chlorophenyl)quinazoline-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccccc2Cl)c2cc(Cl)ccc2n1
InChIInChI=1S/C16H10Cl2N2O2/c1-22-16(21)15-19-13-7-6-9(17)8-11(13)14(20-15)10-4-2-3-5-12(10)18/h2-8H,1H3
InChIKeySYVDWYKSGUAOKL-UHFFFAOYSA-N
MW333.17 g/mol
LogP4.39
Rot. Bonds2

About methyl 6-chloro-4-(2-chlorophenyl)quinazoline-2-carboxylate

methyl 6-chloro-4-(2-chlorophenyl)quinazoline-2-carboxylate (PubChem CID 121005439) has the molecular formula C16H10Cl2N2O2 and a molecular weight of 333.17 g/mol. Its IUPAC name is methyl 6-chloro-4-(2-chlorophenyl)quinazoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-chloro-4-(2-chlorophenyl)quinazoline-2-carboxylate
PubChem CID121005439
Molecular FormulaC16H10Cl2N2O2
Molecular Weight333.17 g/mol
Exact Mass332.01
IUPAC Namemethyl 6-chloro-4-(2-chlorophenyl)quinazoline-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccccc2Cl)c2cc(Cl)ccc2n1
InChIInChI=1S/C16H10Cl2N2O2/c1-22-16(21)15-19-13-7-6-9(17)8-11(13)14(20-15)10-4-2-3-5-12(10)18/h2-8H,1H3
InChIKeySYVDWYKSGUAOKL-UHFFFAOYSA-N
XLogP4.39
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.17
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4,6-dichloroquinazoline-2-carboxylate
CID 131622673
2,6-dichloro-4-(2-chlorophenyl)quinazoline
CID 13033156
7-chloro-1-(2-chlorophenyl)isoquinoline-3-carboxamide
CID 70487205
6-chloro-4-(2-chlorophenyl)-2-methylquinoline-3-carboxamide
CID 8966744
N'-[6-bromo-4-(2-chlorophenyl)quinazolin-2-yl]acetohydrazide
CID 4535582
methyl 4-(2-chlorophenyl)-2-methyl-1,3-thiazole-5-carboxylate
CID 86660450
methyl 6-chloro-2-ethyl-4-phenylquinoline-3-carboxylate
CID 139242418
methyl 6-chloro-4-phenylquinoline-3-carboxylate
CID 10447368
6-(2-chlorophenyl)-2-methylquinoline-4-carboxylic acid
CID 143413176
2-[6-chloro-4-(2-chlorophenyl)-2-phenylquinolin-3-yl]acetate
CID 8966809
methyl 6-chloro-3-(2,5-dichlorophenyl)pyridine-2-carboxylate
CID 133088306
methyl 4-(2-chlorophenyl)naphthalene-2-carboxylate
CID 11637956

Frequently Asked Questions

What is the IUPAC name of methyl 6-chloro-4-(2-chlorophenyl)quinazoline-2-carboxylate?
The IUPAC name of methyl 6-chloro-4-(2-chlorophenyl)quinazoline-2-carboxylate (CID 121005439) is methyl 6-chloro-4-(2-chlorophenyl)quinazoline-2-carboxylate.
What is the SMILES notation for methyl 6-chloro-4-(2-chlorophenyl)quinazoline-2-carboxylate?
The canonical SMILES for methyl 6-chloro-4-(2-chlorophenyl)quinazoline-2-carboxylate is COC(=O)c1nc(-c2ccccc2Cl)c2cc(Cl)ccc2n1.
What is the InChIKey of methyl 6-chloro-4-(2-chlorophenyl)quinazoline-2-carboxylate?
The InChIKey is SYVDWYKSGUAOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2N2O2/c1-22-16(21)15-19-13-7-6-9(17)8-11(13)14(20-15)10-4-2-3-5-12(10)18/h2-8H,1H3.
What are the key properties of methyl 6-chloro-4-(2-chlorophenyl)quinazoline-2-carboxylate?
methyl 6-chloro-4-(2-chlorophenyl)quinazoline-2-carboxylate has a molecular weight of 333.17 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-chloro-4-(2-chlorophenyl)quinazoline-2-carboxylate is sourced from PubChem (CID 121005439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).