4-[[6-(2-methylphenyl)quinazolin-2-yl]amino]cyclohexan-1-ol

C21H23N3O — CID 58829507

IUPAC4-[[6-(2-methylphenyl)quinazolin-2-yl]amino]cyclohexan-1-ol
SMILESCc1ccccc1-c1ccc2nc(NC3CCC(O)CC3)ncc2c1
InChIInChI=1S/C21H23N3O/c1-14-4-2-3-5-19(14)15-6-11-20-16(12-15)13-22-21(24-20)23-17-7-9-18(25)10-8-17/h2-6,11-13,17-18,25H,7-10H2,1H3,(H,22,23,24)
InChIKeyVLYWFNKRTPGCFX-UHFFFAOYSA-N
MW333.44 g/mol
LogP4.32
Rot. Bonds3

About 4-[[6-(2-methylphenyl)quinazolin-2-yl]amino]cyclohexan-1-ol

4-[[6-(2-methylphenyl)quinazolin-2-yl]amino]cyclohexan-1-ol (PubChem CID 58829507) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 4-[[6-(2-methylphenyl)quinazolin-2-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[6-(2-methylphenyl)quinazolin-2-yl]amino]cyclohexan-1-ol
PubChem CID58829507
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name4-[[6-(2-methylphenyl)quinazolin-2-yl]amino]cyclohexan-1-ol
SMILESCc1ccccc1-c1ccc2nc(NC3CCC(O)CC3)ncc2c1
InChIInChI=1S/C21H23N3O/c1-14-4-2-3-5-19(14)15-6-11-20-16(12-15)13-22-21(24-20)23-17-7-9-18(25)10-8-17/h2-6,11-13,17-18,25H,7-10H2,1H3,(H,22,23,24)
InChIKeyVLYWFNKRTPGCFX-UHFFFAOYSA-N
XLogP4.32
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[6-(2-methylphenyl)quinazolin-2-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[6-(2-methylphenyl)quinazolin-2-yl]amino]cyclohexan-1-ol (CID 58829507) is 4-[[6-(2-methylphenyl)quinazolin-2-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[6-(2-methylphenyl)quinazolin-2-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[6-(2-methylphenyl)quinazolin-2-yl]amino]cyclohexan-1-ol is Cc1ccccc1-c1ccc2nc(NC3CCC(O)CC3)ncc2c1.
What is the InChIKey of 4-[[6-(2-methylphenyl)quinazolin-2-yl]amino]cyclohexan-1-ol?
The InChIKey is VLYWFNKRTPGCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-14-4-2-3-5-19(14)15-6-11-20-16(12-15)13-22-21(24-20)23-17-7-9-18(25)10-8-17/h2-6,11-13,17-18,25H,7-10H2,1H3,(H,22,23,24).
What are the key properties of 4-[[6-(2-methylphenyl)quinazolin-2-yl]amino]cyclohexan-1-ol?
4-[[6-(2-methylphenyl)quinazolin-2-yl]amino]cyclohexan-1-ol has a molecular weight of 333.44 g/mol, XLogP of 4.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(2-methylphenyl)quinazolin-2-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 58829507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).