(3Z)-2-[4-(cyclohexylamino)quinazolin-6-yl]buta-1,3-diene-1,4-diamine

C18H23N5 — CID 145056053

IUPAC(3Z)-2-[4-(cyclohexylamino)quinazolin-6-yl]buta-1,3-diene-1,4-diamine
SMILESNC=C(/C=C\N)c1ccc2ncnc(NC3CCCCC3)c2c1
InChIInChI=1S/C18H23N5/c19-9-8-14(11-20)13-6-7-17-16(10-13)18(22-12-21-17)23-15-4-2-1-3-5-15/h6-12,15H,1-5,19-20H2,(H,21,22,23)/b9-8-,14-11?
InChIKeyLEYQUVJCGXKIRT-LDLFAOIFSA-N
MW309.42 g/mol
LogP3.15
Rot. Bonds4

About (3Z)-2-[4-(cyclohexylamino)quinazolin-6-yl]buta-1,3-diene-1,4-diamine

(3Z)-2-[4-(cyclohexylamino)quinazolin-6-yl]buta-1,3-diene-1,4-diamine (PubChem CID 145056053) has the molecular formula C18H23N5 and a molecular weight of 309.42 g/mol. Its IUPAC name is (3Z)-2-[4-(cyclohexylamino)quinazolin-6-yl]buta-1,3-diene-1,4-diamine.

Molecular Properties

Compound Name(3Z)-2-[4-(cyclohexylamino)quinazolin-6-yl]buta-1,3-diene-1,4-diamine
PubChem CID145056053
Molecular FormulaC18H23N5
Molecular Weight309.42 g/mol
Exact Mass309.20
IUPAC Name(3Z)-2-[4-(cyclohexylamino)quinazolin-6-yl]buta-1,3-diene-1,4-diamine
SMILESNC=C(/C=C\N)c1ccc2ncnc(NC3CCCCC3)c2c1
InChIInChI=1S/C18H23N5/c19-9-8-14(11-20)13-6-7-17-16(10-13)18(22-12-21-17)23-15-4-2-1-3-5-15/h6-12,15H,1-5,19-20H2,(H,21,22,23)/b9-8-,14-11?
InChIKeyLEYQUVJCGXKIRT-LDLFAOIFSA-N
XLogP3.15
TPSA89.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-N-[6-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]quinazolin-4-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine
CID 130463674
6-chloro-N-cyclohexylquinazolin-4-amine
CID 13231193
(E)-3-[4-(cyclohexylamino)quinazolin-6-yl]prop-2-en-1-ol
CID 144951219
4-[(6-aminoquinazolin-4-yl)amino]cyclohexan-1-ol
CID 64587470
N-cyclohexyl-6-ethylquinazolin-4-amine
CID 21002570
6-chloro-N-cyclobutylquinazolin-4-amine
CID 13231187
6-chloro-N-cyclopropylquinazolin-4-amine
CID 13231191
1-N-[6-(1-amino-3-iminoprop-1-enyl)quinazolin-4-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine
CID 147652172
4-N-(6-cyclopropylquinazolin-4-yl)-1-N-methylcyclohexane-1,4-diamine
CID 121263781
4-[4-(cyclohexylamino)pyrido[3,4-d]pyrimidin-6-yl]oxycyclohexan-1-ol
CID 11393729
4-[4-(cyclohexylamino)quinazolin-6-yl]butanenitrile
CID 139500656
6-N-cycloheptyl-4-N-cyclopentylpyrimidine-4,5,6-triamine
CID 19153951

Frequently Asked Questions

What is the IUPAC name of (3Z)-2-[4-(cyclohexylamino)quinazolin-6-yl]buta-1,3-diene-1,4-diamine?
The IUPAC name of (3Z)-2-[4-(cyclohexylamino)quinazolin-6-yl]buta-1,3-diene-1,4-diamine (CID 145056053) is (3Z)-2-[4-(cyclohexylamino)quinazolin-6-yl]buta-1,3-diene-1,4-diamine.
What is the SMILES notation for (3Z)-2-[4-(cyclohexylamino)quinazolin-6-yl]buta-1,3-diene-1,4-diamine?
The canonical SMILES for (3Z)-2-[4-(cyclohexylamino)quinazolin-6-yl]buta-1,3-diene-1,4-diamine is NC=C(/C=C\N)c1ccc2ncnc(NC3CCCCC3)c2c1.
What is the InChIKey of (3Z)-2-[4-(cyclohexylamino)quinazolin-6-yl]buta-1,3-diene-1,4-diamine?
The InChIKey is LEYQUVJCGXKIRT-LDLFAOIFSA-N. The full InChI is InChI=1S/C18H23N5/c19-9-8-14(11-20)13-6-7-17-16(10-13)18(22-12-21-17)23-15-4-2-1-3-5-15/h6-12,15H,1-5,19-20H2,(H,21,22,23)/b9-8-,14-11?.
What are the key properties of (3Z)-2-[4-(cyclohexylamino)quinazolin-6-yl]buta-1,3-diene-1,4-diamine?
(3Z)-2-[4-(cyclohexylamino)quinazolin-6-yl]buta-1,3-diene-1,4-diamine has a molecular weight of 309.42 g/mol, XLogP of 3.15, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2-[4-(cyclohexylamino)quinazolin-6-yl]buta-1,3-diene-1,4-diamine is sourced from PubChem (CID 145056053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).