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

C15H15ClN2O — CID 55103877

IUPAC4-chloro-2-(phenoxymethyl)-5,6,7,8-tetrahydroquinazoline
SMILESClc1nc(COc2ccccc2)nc2c1CCCC2
InChIInChI=1S/C15H15ClN2O/c16-15-12-8-4-5-9-13(12)17-14(18-15)10-19-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2
InChIKeyFDCBSOKULVQBII-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.59
Rot. Bonds3

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

4-chloro-2-(phenoxymethyl)-5,6,7,8-tetrahydroquinazoline (PubChem CID 55103877) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is 4-chloro-2-(phenoxymethyl)-5,6,7,8-tetrahydroquinazoline.

Molecular Properties

Compound Name4-chloro-2-(phenoxymethyl)-5,6,7,8-tetrahydroquinazoline
PubChem CID55103877
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name4-chloro-2-(phenoxymethyl)-5,6,7,8-tetrahydroquinazoline
SMILESClc1nc(COc2ccccc2)nc2c1CCCC2
InChIInChI=1S/C15H15ClN2O/c16-15-12-8-4-5-9-13(12)17-14(18-15)10-19-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2
InChIKeyFDCBSOKULVQBII-UHFFFAOYSA-N
XLogP3.59
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-Chlorophenyl)-6-(5-phenoxypentyl)pyrimidine-2,4-diamine;hydrochloride
CID 155512559
2-(2-Chlorophenyl)-4-ethoxyquinazoline
CID 914488
2-(4-Chlorophenyl)-4-propan-2-yloxyquinazoline
CID 914635
2-(2-Chlorophenyl)-4-prop-2-enoxyquinazoline
CID 3742855
4-Chloro-5-(4-methoxybenzyl)-6-methylpyrimidin-2-amine
CID 919161
4-chloro-2-[(E)-2-(2-methoxyphenyl)ethenyl]quinazoline
CID 46865092
5-[3-(3-Chlorophenoxy)propyl]-6-methylpyrimidine-2,4-diamine
CID 44532044
2-(2-Chlorophenyl)-4-propan-2-yloxyquinazoline
CID 710976
Pyrimidine, 4-amino-2-((m-chlorophenoxy)methyl)-6-methyl-, hydrochloride
CID 3051323
4-Chloro-6-methoxy-2-methylquinazoline
CID 12277602
2-(4-Chlorophenyl)-4-ethoxyquinazoline
CID 710973
4-chloro-2-[(E)-2-(4-methoxyphenyl)ethenyl]quinazoline
CID 12449088

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(phenoxymethyl)-5,6,7,8-tetrahydroquinazoline?
The IUPAC name of 4-chloro-2-(phenoxymethyl)-5,6,7,8-tetrahydroquinazoline (CID 55103877) is 4-chloro-2-(phenoxymethyl)-5,6,7,8-tetrahydroquinazoline.
What is the SMILES notation for 4-chloro-2-(phenoxymethyl)-5,6,7,8-tetrahydroquinazoline?
The canonical SMILES for 4-chloro-2-(phenoxymethyl)-5,6,7,8-tetrahydroquinazoline is Clc1nc(COc2ccccc2)nc2c1CCCC2.
What is the InChIKey of 4-chloro-2-(phenoxymethyl)-5,6,7,8-tetrahydroquinazoline?
The InChIKey is FDCBSOKULVQBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c16-15-12-8-4-5-9-13(12)17-14(18-15)10-19-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2.
What are the key properties of 4-chloro-2-(phenoxymethyl)-5,6,7,8-tetrahydroquinazoline?
4-chloro-2-(phenoxymethyl)-5,6,7,8-tetrahydroquinazoline has a molecular weight of 274.75 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(phenoxymethyl)-5,6,7,8-tetrahydroquinazoline is sourced from PubChem (CID 55103877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).