(E)-3-[4-(cyclohexylamino)quinazolin-6-yl]prop-2-en-1-ol

C17H21N3O — CID 144951219

IUPAC(E)-3-[4-(cyclohexylamino)quinazolin-6-yl]prop-2-en-1-ol
SMILESOC/C=C/c1ccc2ncnc(NC3CCCCC3)c2c1
InChIInChI=1S/C17H21N3O/c21-10-4-5-13-8-9-16-15(11-13)17(19-12-18-16)20-14-6-2-1-3-7-14/h4-5,8-9,11-12,14,21H,1-3,6-7,10H2,(H,18,19,20)/b5-4+
InChIKeyRQSADQKQGIRLNJ-SNAWJCMRSA-N
MW283.38 g/mol
LogP3.38
Rot. Bonds4

About (E)-3-[4-(cyclohexylamino)quinazolin-6-yl]prop-2-en-1-ol

(E)-3-[4-(cyclohexylamino)quinazolin-6-yl]prop-2-en-1-ol (PubChem CID 144951219) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is (E)-3-[4-(cyclohexylamino)quinazolin-6-yl]prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-[4-(cyclohexylamino)quinazolin-6-yl]prop-2-en-1-ol
PubChem CID144951219
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name(E)-3-[4-(cyclohexylamino)quinazolin-6-yl]prop-2-en-1-ol
SMILESOC/C=C/c1ccc2ncnc(NC3CCCCC3)c2c1
InChIInChI=1S/C17H21N3O/c21-10-4-5-13-8-9-16-15(11-13)17(19-12-18-16)20-14-6-2-1-3-7-14/h4-5,8-9,11-12,14,21H,1-3,6-7,10H2,(H,18,19,20)/b5-4+
InChIKeyRQSADQKQGIRLNJ-SNAWJCMRSA-N
XLogP3.38
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-[6-[(E)-3-methoxyprop-1-enyl]quinazolin-4-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine
CID 121255061
6-chloro-N-cyclohexylquinazolin-4-amine
CID 13231193
N-cyclohexyl-6-ethylquinazolin-4-amine
CID 21002570
6-chloro-N-cyclobutylquinazolin-4-amine
CID 13231187
4-[4-(cyclohexylamino)quinazolin-6-yl]butanenitrile
CID 139500656
(3Z)-2-[4-(cyclohexylamino)quinazolin-6-yl]buta-1,3-diene-1,4-diamine
CID 145056053
3-[4-(4-phenoxyanilino)quinazolin-6-yl]prop-2-en-1-ol
CID 69485575
6-chloro-N-cyclopropylquinazolin-4-amine
CID 13231191
4-[(6-aminoquinazolin-4-yl)amino]cyclohexan-1-ol
CID 64587470
6-(2-methoxyethenyl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
CID 123964283
6-[4-(cyclohexylamino)quinazolin-6-yl]-N,N-dimethylpyridine-2-carboxamide
CID 139454422
6-ethenyl-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
CID 118475339

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-(cyclohexylamino)quinazolin-6-yl]prop-2-en-1-ol?
The IUPAC name of (E)-3-[4-(cyclohexylamino)quinazolin-6-yl]prop-2-en-1-ol (CID 144951219) is (E)-3-[4-(cyclohexylamino)quinazolin-6-yl]prop-2-en-1-ol.
What is the SMILES notation for (E)-3-[4-(cyclohexylamino)quinazolin-6-yl]prop-2-en-1-ol?
The canonical SMILES for (E)-3-[4-(cyclohexylamino)quinazolin-6-yl]prop-2-en-1-ol is OC/C=C/c1ccc2ncnc(NC3CCCCC3)c2c1.
What is the InChIKey of (E)-3-[4-(cyclohexylamino)quinazolin-6-yl]prop-2-en-1-ol?
The InChIKey is RQSADQKQGIRLNJ-SNAWJCMRSA-N. The full InChI is InChI=1S/C17H21N3O/c21-10-4-5-13-8-9-16-15(11-13)17(19-12-18-16)20-14-6-2-1-3-7-14/h4-5,8-9,11-12,14,21H,1-3,6-7,10H2,(H,18,19,20)/b5-4+.
What are the key properties of (E)-3-[4-(cyclohexylamino)quinazolin-6-yl]prop-2-en-1-ol?
(E)-3-[4-(cyclohexylamino)quinazolin-6-yl]prop-2-en-1-ol has a molecular weight of 283.38 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(cyclohexylamino)quinazolin-6-yl]prop-2-en-1-ol is sourced from PubChem (CID 144951219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).