N-[2-(cyclohexen-1-yl)ethyl]-2-(furan-2-yl)quinazolin-4-amine

C20H21N3O — CID 91964310

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-(furan-2-yl)quinazolin-4-amine
SMILESC1=C(CCNc2nc(-c3ccco3)nc3ccccc23)CCCC1
InChIInChI=1S/C20H21N3O/c1-2-7-15(8-3-1)12-13-21-19-16-9-4-5-10-17(16)22-20(23-19)18-11-6-14-24-18/h4-7,9-11,14H,1-3,8,12-13H2,(H,21,22,23)
InChIKeyCPRSNCFGJXOFMU-UHFFFAOYSA-N
MW319.41 g/mol
LogP5.19
Rot. Bonds5

About N-[2-(cyclohexen-1-yl)ethyl]-2-(furan-2-yl)quinazolin-4-amine

N-[2-(cyclohexen-1-yl)ethyl]-2-(furan-2-yl)quinazolin-4-amine (PubChem CID 91964310) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-(furan-2-yl)quinazolin-4-amine.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-(furan-2-yl)quinazolin-4-amine
PubChem CID91964310
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-(furan-2-yl)quinazolin-4-amine
SMILESC1=C(CCNc2nc(-c3ccco3)nc3ccccc23)CCCC1
InChIInChI=1S/C20H21N3O/c1-2-7-15(8-3-1)12-13-21-19-16-9-4-5-10-17(16)22-20(23-19)18-11-6-14-24-18/h4-7,9-11,14H,1-3,8,12-13H2,(H,21,22,23)
InChIKeyCPRSNCFGJXOFMU-UHFFFAOYSA-N
XLogP5.19
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.41
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-2-(2-fluorophenyl)quinazolin-4-amine
CID 3693865
2-chloro-N-[2-(cyclopenten-1-yl)ethyl]quinazolin-4-amine
CID 114156958
2-(furan-2-yl)-6-methyl-N-(2-pyrrolidin-1-ylethyl)quinazolin-4-amine
CID 83277016
2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-[(2-methoxyphenyl)methyl]quinazoline-2,4-diamine
CID 91963375
N-[2-(cyclohexen-1-yl)ethyl]quinolin-2-amine
CID 23799237
2-[2-(cyclopenten-1-yl)ethylamino]quinoline-4-carbonitrile
CID 103844235
N-[2-(cyclohexen-1-yl)ethyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine
CID 8890756
1-[2-(cyclohexen-1-yl)ethyl]-3-ethyl-2-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]guanidine
CID 111762939
2-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)ethanamine
CID 17206949
4-N-[2-(furan-2-yl)ethyl]-2-N-methylquinazoline-2,4-diamine
CID 80803693
2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112885539
N'-[2-(furan-2-yl)pyrimido[5,4-c]cinnolin-4-yl]-N-methylpropane-1,3-diamine
CID 11580817

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(furan-2-yl)quinazolin-4-amine?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(furan-2-yl)quinazolin-4-amine (CID 91964310) is N-[2-(cyclohexen-1-yl)ethyl]-2-(furan-2-yl)quinazolin-4-amine.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-(furan-2-yl)quinazolin-4-amine?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-(furan-2-yl)quinazolin-4-amine is C1=C(CCNc2nc(-c3ccco3)nc3ccccc23)CCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-(furan-2-yl)quinazolin-4-amine?
The InChIKey is CPRSNCFGJXOFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-2-7-15(8-3-1)12-13-21-19-16-9-4-5-10-17(16)22-20(23-19)18-11-6-14-24-18/h4-7,9-11,14H,1-3,8,12-13H2,(H,21,22,23).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-(furan-2-yl)quinazolin-4-amine?
N-[2-(cyclohexen-1-yl)ethyl]-2-(furan-2-yl)quinazolin-4-amine has a molecular weight of 319.41 g/mol, XLogP of 5.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-(furan-2-yl)quinazolin-4-amine is sourced from PubChem (CID 91964310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).