4-[4-(cyclohexylamino)quinazolin-6-yl]butanenitrile

C18H22N4 — CID 139500656

IUPAC4-[4-(cyclohexylamino)quinazolin-6-yl]butanenitrile
SMILESN#CCCCc1ccc2ncnc(NC3CCCCC3)c2c1
InChIInChI=1S/C18H22N4/c19-11-5-4-6-14-9-10-17-16(12-14)18(21-13-20-17)22-15-7-2-1-3-8-15/h9-10,12-13,15H,1-8H2,(H,20,21,22)
InChIKeyBBYORBUWGFQSMK-UHFFFAOYSA-N
MW294.40 g/mol
LogP4.22
Rot. Bonds5

About 4-[4-(cyclohexylamino)quinazolin-6-yl]butanenitrile

4-[4-(cyclohexylamino)quinazolin-6-yl]butanenitrile (PubChem CID 139500656) has the molecular formula C18H22N4 and a molecular weight of 294.40 g/mol. Its IUPAC name is 4-[4-(cyclohexylamino)quinazolin-6-yl]butanenitrile.

Molecular Properties

Compound Name4-[4-(cyclohexylamino)quinazolin-6-yl]butanenitrile
PubChem CID139500656
Molecular FormulaC18H22N4
Molecular Weight294.40 g/mol
Exact Mass294.18
IUPAC Name4-[4-(cyclohexylamino)quinazolin-6-yl]butanenitrile
SMILESN#CCCCc1ccc2ncnc(NC3CCCCC3)c2c1
InChIInChI=1S/C18H22N4/c19-11-5-4-6-14-9-10-17-16(12-14)18(21-13-20-17)22-15-7-2-1-3-8-15/h9-10,12-13,15H,1-8H2,(H,20,21,22)
InChIKeyBBYORBUWGFQSMK-UHFFFAOYSA-N
XLogP4.22
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-6-ethylquinazolin-4-amine
CID 21002570
6-chloro-N-cyclohexylquinazolin-4-amine
CID 13231193
(E)-3-[4-(cyclohexylamino)quinazolin-6-yl]prop-2-en-1-ol
CID 144951219
2-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]acetonitrile
CID 118475287
6-butyl-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
CID 121255036
6-chloro-N-cyclobutylquinazolin-4-amine
CID 13231187
4-[(4-aminocyclohexyl)amino]quinazoline-6-carbonitrile
CID 121262387
6-chloro-N-cyclopropylquinazolin-4-amine
CID 13231191
(3Z)-2-[4-(cyclohexylamino)quinazolin-6-yl]buta-1,3-diene-1,4-diamine
CID 145056053
N-[4-(4,4-dimethylpiperidin-1-yl)cyclohexyl]-6-ethylquinazolin-4-amine
CID 118475354
4-N-(6-cyclopropylquinazolin-4-yl)-1-N-methylcyclohexane-1,4-diamine
CID 121263781
4-[(6-aminoquinazolin-4-yl)amino]cyclohexan-1-ol
CID 64587470

Frequently Asked Questions

What is the IUPAC name of 4-[4-(cyclohexylamino)quinazolin-6-yl]butanenitrile?
The IUPAC name of 4-[4-(cyclohexylamino)quinazolin-6-yl]butanenitrile (CID 139500656) is 4-[4-(cyclohexylamino)quinazolin-6-yl]butanenitrile.
What is the SMILES notation for 4-[4-(cyclohexylamino)quinazolin-6-yl]butanenitrile?
The canonical SMILES for 4-[4-(cyclohexylamino)quinazolin-6-yl]butanenitrile is N#CCCCc1ccc2ncnc(NC3CCCCC3)c2c1.
What is the InChIKey of 4-[4-(cyclohexylamino)quinazolin-6-yl]butanenitrile?
The InChIKey is BBYORBUWGFQSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4/c19-11-5-4-6-14-9-10-17-16(12-14)18(21-13-20-17)22-15-7-2-1-3-8-15/h9-10,12-13,15H,1-8H2,(H,20,21,22).
What are the key properties of 4-[4-(cyclohexylamino)quinazolin-6-yl]butanenitrile?
4-[4-(cyclohexylamino)quinazolin-6-yl]butanenitrile has a molecular weight of 294.40 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(cyclohexylamino)quinazolin-6-yl]butanenitrile is sourced from PubChem (CID 139500656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).