2-(2-chloro-4-methylphenyl)-3-cyclohexyl-4-methylidenequinazoline

C22H23ClN2 — CID 155357504

IUPAC2-(2-chloro-4-methylphenyl)-3-cyclohexyl-4-methylidenequinazoline
SMILESC=C1c2ccccc2N=C(c2ccc(C)cc2Cl)N1C1CCCCC1
InChIInChI=1S/C22H23ClN2/c1-15-12-13-19(20(23)14-15)22-24-21-11-7-6-10-18(21)16(2)25(22)17-8-4-3-5-9-17/h6-7,10-14,17H,2-5,8-9H2,1H3
InChIKeyDPIXNESMVVOKKV-UHFFFAOYSA-N
MW350.89 g/mol
LogP6.35
Rot. Bonds2

About 2-(2-chloro-4-methylphenyl)-3-cyclohexyl-4-methylidenequinazoline

2-(2-chloro-4-methylphenyl)-3-cyclohexyl-4-methylidenequinazoline (PubChem CID 155357504) has the molecular formula C22H23ClN2 and a molecular weight of 350.89 g/mol. Its IUPAC name is 2-(2-chloro-4-methylphenyl)-3-cyclohexyl-4-methylidenequinazoline.

Molecular Properties

Compound Name2-(2-chloro-4-methylphenyl)-3-cyclohexyl-4-methylidenequinazoline
PubChem CID155357504
Molecular FormulaC22H23ClN2
Molecular Weight350.89 g/mol
Exact Mass350.15
IUPAC Name2-(2-chloro-4-methylphenyl)-3-cyclohexyl-4-methylidenequinazoline
SMILESC=C1c2ccccc2N=C(c2ccc(C)cc2Cl)N1C1CCCCC1
InChIInChI=1S/C22H23ClN2/c1-15-12-13-19(20(23)14-15)22-24-21-11-7-6-10-18(21)16(2)25(22)17-8-4-3-5-9-17/h6-7,10-14,17H,2-5,8-9H2,1H3
InChIKeyDPIXNESMVVOKKV-UHFFFAOYSA-N
XLogP6.35
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.89
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methylphenyl)-3-cyclohexyl-4-methylidenequinazoline?
The IUPAC name of 2-(2-chloro-4-methylphenyl)-3-cyclohexyl-4-methylidenequinazoline (CID 155357504) is 2-(2-chloro-4-methylphenyl)-3-cyclohexyl-4-methylidenequinazoline.
What is the SMILES notation for 2-(2-chloro-4-methylphenyl)-3-cyclohexyl-4-methylidenequinazoline?
The canonical SMILES for 2-(2-chloro-4-methylphenyl)-3-cyclohexyl-4-methylidenequinazoline is C=C1c2ccccc2N=C(c2ccc(C)cc2Cl)N1C1CCCCC1.
What is the InChIKey of 2-(2-chloro-4-methylphenyl)-3-cyclohexyl-4-methylidenequinazoline?
The InChIKey is DPIXNESMVVOKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2/c1-15-12-13-19(20(23)14-15)22-24-21-11-7-6-10-18(21)16(2)25(22)17-8-4-3-5-9-17/h6-7,10-14,17H,2-5,8-9H2,1H3.
What are the key properties of 2-(2-chloro-4-methylphenyl)-3-cyclohexyl-4-methylidenequinazoline?
2-(2-chloro-4-methylphenyl)-3-cyclohexyl-4-methylidenequinazoline has a molecular weight of 350.89 g/mol, XLogP of 6.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methylphenyl)-3-cyclohexyl-4-methylidenequinazoline is sourced from PubChem (CID 155357504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).