4-chloro-2-(3-ethoxyphenyl)-5,6,7,8-tetrahydroquinazoline

C16H17ClN2O — CID 61382229

IUPAC4-chloro-2-(3-ethoxyphenyl)-5,6,7,8-tetrahydroquinazoline
SMILESCCOc1cccc(-c2nc(Cl)c3c(n2)CCCC3)c1
InChIInChI=1S/C16H17ClN2O/c1-2-20-12-7-5-6-11(10-12)16-18-14-9-4-3-8-13(14)15(17)19-16/h5-7,10H,2-4,8-9H2,1H3
InChIKeyRCAJKYSKIKZVEW-UHFFFAOYSA-N
MW288.78 g/mol
LogP4.07
Rot. Bonds3

About 4-chloro-2-(3-ethoxyphenyl)-5,6,7,8-tetrahydroquinazoline

4-chloro-2-(3-ethoxyphenyl)-5,6,7,8-tetrahydroquinazoline (PubChem CID 61382229) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 4-chloro-2-(3-ethoxyphenyl)-5,6,7,8-tetrahydroquinazoline.

Molecular Properties

Compound Name4-chloro-2-(3-ethoxyphenyl)-5,6,7,8-tetrahydroquinazoline
PubChem CID61382229
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name4-chloro-2-(3-ethoxyphenyl)-5,6,7,8-tetrahydroquinazoline
SMILESCCOc1cccc(-c2nc(Cl)c3c(n2)CCCC3)c1
InChIInChI=1S/C16H17ClN2O/c1-2-20-12-7-5-6-11(10-12)16-18-14-9-4-3-8-13(14)15(17)19-16/h5-7,10H,2-4,8-9H2,1H3
InChIKeyRCAJKYSKIKZVEW-UHFFFAOYSA-N
XLogP4.07
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-(3-propan-2-yloxyphenyl)-5,6,7,8-tetrahydroquinazoline
CID 61382194
4-chloro-2-(3-ethoxyphenyl)-6-ethyl-5-methylpyrimidine
CID 55247750
2-(3-propoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62500115
4-chloro-2-(3-ethoxyphenyl)-6-methylpyrimidine
CID 43557478
4-chloro-2-(3-ethoxyphenyl)-5-iodo-6-propan-2-ylpyrimidine
CID 66292609
5-bromo-4-tert-butyl-6-chloro-2-(3-ethoxyphenyl)pyrimidine
CID 66293166
5-chloro-3-(3-ethoxyphenyl)-1,2,4-oxadiazole
CID 60984808
4-chloro-2-(3,4-dichlorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 63405249
2-(3-ethoxyphenyl)-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472247
2-(3-ethoxyphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62009283
4-chloro-2-pyrimidin-2-yl-5,6,7,8-tetrahydroquinazoline
CID 61382244
4-chloro-2-(3,5-dimethylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 63405558

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3-ethoxyphenyl)-5,6,7,8-tetrahydroquinazoline?
The IUPAC name of 4-chloro-2-(3-ethoxyphenyl)-5,6,7,8-tetrahydroquinazoline (CID 61382229) is 4-chloro-2-(3-ethoxyphenyl)-5,6,7,8-tetrahydroquinazoline.
What is the SMILES notation for 4-chloro-2-(3-ethoxyphenyl)-5,6,7,8-tetrahydroquinazoline?
The canonical SMILES for 4-chloro-2-(3-ethoxyphenyl)-5,6,7,8-tetrahydroquinazoline is CCOc1cccc(-c2nc(Cl)c3c(n2)CCCC3)c1.
What is the InChIKey of 4-chloro-2-(3-ethoxyphenyl)-5,6,7,8-tetrahydroquinazoline?
The InChIKey is RCAJKYSKIKZVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-2-20-12-7-5-6-11(10-12)16-18-14-9-4-3-8-13(14)15(17)19-16/h5-7,10H,2-4,8-9H2,1H3.
What are the key properties of 4-chloro-2-(3-ethoxyphenyl)-5,6,7,8-tetrahydroquinazoline?
4-chloro-2-(3-ethoxyphenyl)-5,6,7,8-tetrahydroquinazoline has a molecular weight of 288.78 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3-ethoxyphenyl)-5,6,7,8-tetrahydroquinazoline is sourced from PubChem (CID 61382229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).