6-cyclohexyl-3-(4-cyclohexylphenyl)-4H-quinazoline

C26H32N2 — CID 4139199

IUPAC6-cyclohexyl-3-(4-cyclohexylphenyl)-4H-quinazoline
SMILESC1=Nc2ccc(C3CCCCC3)cc2CN1c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C26H32N2/c1-3-7-20(8-4-1)22-11-14-25(15-12-22)28-18-24-17-23(13-16-26(24)27-19-28)21-9-5-2-6-10-21/h11-17,19-21H,1-10,18H2
InChIKeyTXHBTGZVFKDTCF-UHFFFAOYSA-N
MW372.56 g/mol
LogP7.46
Rot. Bonds3

About 6-cyclohexyl-3-(4-cyclohexylphenyl)-4H-quinazoline

6-cyclohexyl-3-(4-cyclohexylphenyl)-4H-quinazoline (PubChem CID 4139199) has the molecular formula C26H32N2 and a molecular weight of 372.56 g/mol. Its IUPAC name is 6-cyclohexyl-3-(4-cyclohexylphenyl)-4H-quinazoline.

Molecular Properties

Compound Name6-cyclohexyl-3-(4-cyclohexylphenyl)-4H-quinazoline
PubChem CID4139199
Molecular FormulaC26H32N2
Molecular Weight372.56 g/mol
Exact Mass372.26
IUPAC Name6-cyclohexyl-3-(4-cyclohexylphenyl)-4H-quinazoline
SMILESC1=Nc2ccc(C3CCCCC3)cc2CN1c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C26H32N2/c1-3-7-20(8-4-1)22-11-14-25(15-12-22)28-18-24-17-23(13-16-26(24)27-19-28)21-9-5-2-6-10-21/h11-17,19-21H,1-10,18H2
InChIKeyTXHBTGZVFKDTCF-UHFFFAOYSA-N
XLogP7.46
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.56
LogP ≤ 57.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-3-(4-cyclohexylphenyl)-4H-quinazoline?
The IUPAC name of 6-cyclohexyl-3-(4-cyclohexylphenyl)-4H-quinazoline (CID 4139199) is 6-cyclohexyl-3-(4-cyclohexylphenyl)-4H-quinazoline.
What is the SMILES notation for 6-cyclohexyl-3-(4-cyclohexylphenyl)-4H-quinazoline?
The canonical SMILES for 6-cyclohexyl-3-(4-cyclohexylphenyl)-4H-quinazoline is C1=Nc2ccc(C3CCCCC3)cc2CN1c1ccc(C2CCCCC2)cc1.
What is the InChIKey of 6-cyclohexyl-3-(4-cyclohexylphenyl)-4H-quinazoline?
The InChIKey is TXHBTGZVFKDTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2/c1-3-7-20(8-4-1)22-11-14-25(15-12-22)28-18-24-17-23(13-16-26(24)27-19-28)21-9-5-2-6-10-21/h11-17,19-21H,1-10,18H2.
What are the key properties of 6-cyclohexyl-3-(4-cyclohexylphenyl)-4H-quinazoline?
6-cyclohexyl-3-(4-cyclohexylphenyl)-4H-quinazoline has a molecular weight of 372.56 g/mol, XLogP of 7.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-3-(4-cyclohexylphenyl)-4H-quinazoline is sourced from PubChem (CID 4139199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).