1-[(2-cyclohexylquinazolin-4-yl)amino]propan-2-ol

C17H23N3O — CID 171988229

IUPAC1-[(2-cyclohexylquinazolin-4-yl)amino]propan-2-ol
SMILESCC(O)CNc1nc(C2CCCCC2)nc2ccccc12
InChIInChI=1S/C17H23N3O/c1-12(21)11-18-17-14-9-5-6-10-15(14)19-16(20-17)13-7-3-2-4-8-13/h5-6,9-10,12-13,21H,2-4,7-8,11H2,1H3,(H,18,19,20)
InChIKeyDOXXBXKWQWBMBM-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.47
Rot. Bonds4

About 1-[(2-cyclohexylquinazolin-4-yl)amino]propan-2-ol

1-[(2-cyclohexylquinazolin-4-yl)amino]propan-2-ol (PubChem CID 171988229) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-[(2-cyclohexylquinazolin-4-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[(2-cyclohexylquinazolin-4-yl)amino]propan-2-ol
PubChem CID171988229
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name1-[(2-cyclohexylquinazolin-4-yl)amino]propan-2-ol
SMILESCC(O)CNc1nc(C2CCCCC2)nc2ccccc12
InChIInChI=1S/C17H23N3O/c1-12(21)11-18-17-14-9-5-6-10-15(14)19-16(20-17)13-7-3-2-4-8-13/h5-6,9-10,12-13,21H,2-4,7-8,11H2,1H3,(H,18,19,20)
InChIKeyDOXXBXKWQWBMBM-UHFFFAOYSA-N
XLogP3.47
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[(2-chloroquinazolin-4-yl)amino]propan-2-ol
CID 42149810
2-cyclohexyl-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine
CID 69222459
[2-[2-[[(2-cyclobutylquinazolin-4-yl)amino]methyl]phenyl]sulfanylphenyl]methanol
CID 56688785
2-cyclohexyl-N-[2-(3-fluorophenyl)ethyl]quinazolin-4-amine
CID 69221519
2-[4-[[(2S)-2-hydroxypropyl]amino]quinazolin-2-yl]ethyl-dimethylazanium
CID 6984824
N-tert-butyl-2-(2-cyclohexylquinazolin-4-yl)sulfanylacetamide
CID 1465918
2-cyclopropyl-4-methylquinazoline
CID 125485974
(2S)-1-[(3-pyrrolidin-1-ylquinoxalin-2-yl)amino]propan-2-ol
CID 99582304
N-[2-[(2-cyclopropylquinazolin-4-yl)amino]ethyl]-4-fluorobenzamide
CID 42809176
4-N-(2-methylpropyl)quinazoline-2,4-diamine
CID 80770158
2-(2-cyclohexylquinazolin-4-yl)sulfanylacetamide
CID 43814889
N-(2-methylpropyl)-2-(trifluoromethyl)quinazolin-4-amine
CID 155520248

Frequently Asked Questions

What is the IUPAC name of 1-[(2-cyclohexylquinazolin-4-yl)amino]propan-2-ol?
The IUPAC name of 1-[(2-cyclohexylquinazolin-4-yl)amino]propan-2-ol (CID 171988229) is 1-[(2-cyclohexylquinazolin-4-yl)amino]propan-2-ol.
What is the SMILES notation for 1-[(2-cyclohexylquinazolin-4-yl)amino]propan-2-ol?
The canonical SMILES for 1-[(2-cyclohexylquinazolin-4-yl)amino]propan-2-ol is CC(O)CNc1nc(C2CCCCC2)nc2ccccc12.
What is the InChIKey of 1-[(2-cyclohexylquinazolin-4-yl)amino]propan-2-ol?
The InChIKey is DOXXBXKWQWBMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-12(21)11-18-17-14-9-5-6-10-15(14)19-16(20-17)13-7-3-2-4-8-13/h5-6,9-10,12-13,21H,2-4,7-8,11H2,1H3,(H,18,19,20).
What are the key properties of 1-[(2-cyclohexylquinazolin-4-yl)amino]propan-2-ol?
1-[(2-cyclohexylquinazolin-4-yl)amino]propan-2-ol has a molecular weight of 285.39 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-cyclohexylquinazolin-4-yl)amino]propan-2-ol is sourced from PubChem (CID 171988229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).