2-benzyl-4-chloro-6,7-diethoxyquinazoline

C19H19ClN2O2 — CID 11057018

IUPAC2-benzyl-4-chloro-6,7-diethoxyquinazoline
SMILESCCOc1cc2nc(Cc3ccccc3)nc(Cl)c2cc1OCC
InChIInChI=1S/C19H19ClN2O2/c1-3-23-16-11-14-15(12-17(16)24-4-2)21-18(22-19(14)20)10-13-8-6-5-7-9-13/h5-9,11-12H,3-4,10H2,1-2H3
InChIKeyVMRIQIYXQSUZOJ-UHFFFAOYSA-N
MW342.83 g/mol
LogP4.67
Rot. Bonds6

About 2-benzyl-4-chloro-6,7-diethoxyquinazoline

2-benzyl-4-chloro-6,7-diethoxyquinazoline (PubChem CID 11057018) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is 2-benzyl-4-chloro-6,7-diethoxyquinazoline.

Molecular Properties

Compound Name2-benzyl-4-chloro-6,7-diethoxyquinazoline
PubChem CID11057018
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC Name2-benzyl-4-chloro-6,7-diethoxyquinazoline
SMILESCCOc1cc2nc(Cc3ccccc3)nc(Cl)c2cc1OCC
InChIInChI=1S/C19H19ClN2O2/c1-3-23-16-11-14-15(12-17(16)24-4-2)21-18(22-19(14)20)10-13-8-6-5-7-9-13/h5-9,11-12H,3-4,10H2,1-2H3
InChIKeyVMRIQIYXQSUZOJ-UHFFFAOYSA-N
XLogP4.67
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-6,7-diethoxyquinazolin-2-yl)acetic acid
CID 11833873
4-chloro-6,7-diethoxy-2-(2-methylpropyl)quinazoline
CID 10859828
CID 90466535
CID 90466535
4-chloro-6-methoxy-7-phenylmethoxyquinazoline
CID 10661998
7-ethoxy-4-methyl-6-phenylmethoxyquinoline
CID 146508381
2-benzyl-6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazoline
CID 53245615
1-benzyl-2-ethoxynaphthalene
CID 12064074
4-chloro-2-(2-chloroethyl)-6,7-dimethoxyquinazoline
CID 90236933
2-(2-chlorophenyl)-6,7-diethoxy-3,1-benzoxazin-4-one
CID 8012933
2-benzyl-4-chloro-5-fluoro-6-methylpyrimidine
CID 66000630
2-chloro-6-ethoxy-7-methoxy-N-methylquinazolin-4-amine
CID 114693438
3-benzyl-2-chloroquinoline
CID 14001237

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-chloro-6,7-diethoxyquinazoline?
The IUPAC name of 2-benzyl-4-chloro-6,7-diethoxyquinazoline (CID 11057018) is 2-benzyl-4-chloro-6,7-diethoxyquinazoline.
What is the SMILES notation for 2-benzyl-4-chloro-6,7-diethoxyquinazoline?
The canonical SMILES for 2-benzyl-4-chloro-6,7-diethoxyquinazoline is CCOc1cc2nc(Cc3ccccc3)nc(Cl)c2cc1OCC.
What is the InChIKey of 2-benzyl-4-chloro-6,7-diethoxyquinazoline?
The InChIKey is VMRIQIYXQSUZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c1-3-23-16-11-14-15(12-17(16)24-4-2)21-18(22-19(14)20)10-13-8-6-5-7-9-13/h5-9,11-12H,3-4,10H2,1-2H3.
What are the key properties of 2-benzyl-4-chloro-6,7-diethoxyquinazoline?
2-benzyl-4-chloro-6,7-diethoxyquinazoline has a molecular weight of 342.83 g/mol, XLogP of 4.67, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-chloro-6,7-diethoxyquinazoline is sourced from PubChem (CID 11057018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).