2-(2-chlorophenyl)-4-propan-2-yloxyquinazoline

C17H15ClN2O — CID 710976

IUPAC2-(2-chlorophenyl)-4-propan-2-yloxyquinazoline
SMILESCC(C)Oc1nc(-c2ccccc2Cl)nc2ccccc12
InChIInChI=1S/C17H15ClN2O/c1-11(2)21-17-13-8-4-6-10-15(13)19-16(20-17)12-7-3-5-9-14(12)18/h3-11H,1-2H3
InChIKeyHUTUBDXRWSWVKW-UHFFFAOYSA-N
MW298.77 g/mol
LogP4.74
Rot. Bonds3

About 2-(2-chlorophenyl)-4-propan-2-yloxyquinazoline

2-(2-chlorophenyl)-4-propan-2-yloxyquinazoline (PubChem CID 710976) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-4-propan-2-yloxyquinazoline.

Molecular Properties

Compound Name2-(2-chlorophenyl)-4-propan-2-yloxyquinazoline
PubChem CID710976
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name2-(2-chlorophenyl)-4-propan-2-yloxyquinazoline
SMILESCC(C)Oc1nc(-c2ccccc2Cl)nc2ccccc12
InChIInChI=1S/C17H15ClN2O/c1-11(2)21-17-13-8-4-6-10-15(13)19-16(20-17)12-7-3-5-9-14(12)18/h3-11H,1-2H3
InChIKeyHUTUBDXRWSWVKW-UHFFFAOYSA-N
XLogP4.74
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-((1-(2,6-Dichlorobenzyl)piperidin-4-yl)methoxy)quinazoline-2,4-diamine
CID 53258905
5-[(1S)-1-(3-chlorophenyl)ethoxy]quinazoline-2,4-diamine
CID 24778299
4-Methoxy-2-(4-propoxyphenyl)quinazoline
CID 1612038
CID 2952997
CID 2952997
5-[(2-Chlorophenoxy)methyl]quinazoline-2,4-diamine
CID 11666585
5-((3-Chlorophenoxy)methyl)quinazoline-2,4-diamine
CID 11688044
5-[[1-[(2-Chloro-6-fluorophenyl)methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine
CID 25003843
5-[[1-[(2-Chlorophenyl)methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine
CID 25007428
2-[4-(Propan-2-yloxy)quinazolin-2-yl]phenol
CID 659553
Quinazoline, 2-(4-methyl-1-piperazinyl)-4-phenoxy-
CID 217674
Quinazoline, 2-(4-methyl-1-piperazinyl)-4-(phenylmethoxy)-
CID 3076002
4-(Cyclohexyloxy)quinazoline
CID 44591868

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-4-propan-2-yloxyquinazoline?
The IUPAC name of 2-(2-chlorophenyl)-4-propan-2-yloxyquinazoline (CID 710976) is 2-(2-chlorophenyl)-4-propan-2-yloxyquinazoline.
What is the SMILES notation for 2-(2-chlorophenyl)-4-propan-2-yloxyquinazoline?
The canonical SMILES for 2-(2-chlorophenyl)-4-propan-2-yloxyquinazoline is CC(C)Oc1nc(-c2ccccc2Cl)nc2ccccc12.
What is the InChIKey of 2-(2-chlorophenyl)-4-propan-2-yloxyquinazoline?
The InChIKey is HUTUBDXRWSWVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c1-11(2)21-17-13-8-4-6-10-15(13)19-16(20-17)12-7-3-5-9-14(12)18/h3-11H,1-2H3.
What are the key properties of 2-(2-chlorophenyl)-4-propan-2-yloxyquinazoline?
2-(2-chlorophenyl)-4-propan-2-yloxyquinazoline has a molecular weight of 298.77 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-4-propan-2-yloxyquinazoline is sourced from PubChem (CID 710976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).