6-chloro-3-(2-phenoxyethyl)-1,4-dihydroquinazolin-2-one

C16H15ClN2O2 — CID 175720040

IUPAC6-chloro-3-(2-phenoxyethyl)-1,4-dihydroquinazolin-2-one
SMILESO=C1Nc2ccc(Cl)cc2CN1CCOc1ccccc1
InChIInChI=1S/C16H15ClN2O2/c17-13-6-7-15-12(10-13)11-19(16(20)18-15)8-9-21-14-4-2-1-3-5-14/h1-7,10H,8-9,11H2,(H,18,20)
InChIKeyNOLKKBGUBASDPO-UHFFFAOYSA-N
MW302.76 g/mol
LogP3.77
Rot. Bonds4

About 6-chloro-3-(2-phenoxyethyl)-1,4-dihydroquinazolin-2-one

6-chloro-3-(2-phenoxyethyl)-1,4-dihydroquinazolin-2-one (PubChem CID 175720040) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is 6-chloro-3-(2-phenoxyethyl)-1,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name6-chloro-3-(2-phenoxyethyl)-1,4-dihydroquinazolin-2-one
PubChem CID175720040
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC Name6-chloro-3-(2-phenoxyethyl)-1,4-dihydroquinazolin-2-one
SMILESO=C1Nc2ccc(Cl)cc2CN1CCOc1ccccc1
InChIInChI=1S/C16H15ClN2O2/c17-13-6-7-15-12(10-13)11-19(16(20)18-15)8-9-21-14-4-2-1-3-5-14/h1-7,10H,8-9,11H2,(H,18,20)
InChIKeyNOLKKBGUBASDPO-UHFFFAOYSA-N
XLogP3.77
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

US10233177, Example 51
CID 53386424
1-(4-Chlorophenyl)-3-[4-(3-piperidin-1-ylpropoxy)phenyl]urea
CID 71625710
N-(2-Ethoxyphenyl)-3,4-dihydro-2(1H)-isoquinolinecarboxamide
CID 6469538
N-benzyl-2,3-dihydro-4H-1,4-benzoxazine-4-carboxamide
CID 6625603
N-Benzyl-6-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine-4-carboxamide
CID 16017969
N-Benzyl-6-chloro-2-ethyl-3,4-dihydro-2H-1,4-benzoxazine-4-carboxamide
CID 16018003
6-chloro-2-ethyl-N-(4-methylbenzyl)-2,3-dihydro-4H-1,4-benzoxazine-4-carboxamide
CID 16018021
6-chloro-2-ethyl-N-(3-methoxybenzyl)-2,3-dihydro-4H-1,4-benzoxazine-4-carboxamide
CID 16018023
6-chloro-2-ethyl-N-(4-fluorobenzyl)-2,3-dihydro-4H-1,4-benzoxazine-4-carboxamide
CID 16018025
N-(2-ethoxyphenyl)-3,4-dihydroquinoline-1(2H)-carboxamide
CID 24818440
3-{2-[4-(5-Chloro-2-methylphenyl)piperazin-1-YL]ethyl}-1-(4-ethoxyphenyl)urea
CID 15989693
N-(3-Chloro-4-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine-4-carboxamide
CID 22521346

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(2-phenoxyethyl)-1,4-dihydroquinazolin-2-one?
The IUPAC name of 6-chloro-3-(2-phenoxyethyl)-1,4-dihydroquinazolin-2-one (CID 175720040) is 6-chloro-3-(2-phenoxyethyl)-1,4-dihydroquinazolin-2-one.
What is the SMILES notation for 6-chloro-3-(2-phenoxyethyl)-1,4-dihydroquinazolin-2-one?
The canonical SMILES for 6-chloro-3-(2-phenoxyethyl)-1,4-dihydroquinazolin-2-one is O=C1Nc2ccc(Cl)cc2CN1CCOc1ccccc1.
What is the InChIKey of 6-chloro-3-(2-phenoxyethyl)-1,4-dihydroquinazolin-2-one?
The InChIKey is NOLKKBGUBASDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c17-13-6-7-15-12(10-13)11-19(16(20)18-15)8-9-21-14-4-2-1-3-5-14/h1-7,10H,8-9,11H2,(H,18,20).
What are the key properties of 6-chloro-3-(2-phenoxyethyl)-1,4-dihydroquinazolin-2-one?
6-chloro-3-(2-phenoxyethyl)-1,4-dihydroquinazolin-2-one has a molecular weight of 302.76 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(2-phenoxyethyl)-1,4-dihydroquinazolin-2-one is sourced from PubChem (CID 175720040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).