2-amino-N-[1-(cyclohexen-1-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide

C17H24N4O — CID 131902997

IUPAC2-amino-N-[1-(cyclohexen-1-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide
SMILESCC(NC(=O)c1nc(N)nc2c1CCCC2)C1=CCCCC1
InChIInChI=1S/C17H24N4O/c1-11(12-7-3-2-4-8-12)19-16(22)15-13-9-5-6-10-14(13)20-17(18)21-15/h7,11H,2-6,8-10H2,1H3,(H,19,22)(H2,18,20,21)
InChIKeyDFSKRGBBJXRJFF-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.56
Rot. Bonds3

About 2-amino-N-[1-(cyclohexen-1-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide

2-amino-N-[1-(cyclohexen-1-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide (PubChem CID 131902997) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 2-amino-N-[1-(cyclohexen-1-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[1-(cyclohexen-1-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide
PubChem CID131902997
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name2-amino-N-[1-(cyclohexen-1-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide
SMILESCC(NC(=O)c1nc(N)nc2c1CCCC2)C1=CCCCC1
InChIInChI=1S/C17H24N4O/c1-11(12-7-3-2-4-8-12)19-16(22)15-13-9-5-6-10-14(13)20-17(18)21-15/h7,11H,2-6,8-10H2,1H3,(H,19,22)(H2,18,20,21)
InChIKeyDFSKRGBBJXRJFF-UHFFFAOYSA-N
XLogP2.56
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(cyclohexen-1-yl)ethyl]thiophene-3-carboxamide
CID 131890483
N-[(1S)-1-(cyclohexen-1-yl)ethyl]-3-(piperidine-1-carbonyl)pyrazine-2-carboxamide
CID 125175923
2-amino-N-[2-(N-methylanilino)propyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide
CID 131943872
(E)-3-(2-aminopyrimidin-5-yl)-N-[1-(cyclohexen-1-yl)ethyl]prop-2-enamide
CID 131950450
2-amino-N-[(S)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide
CID 126454113
N-[(1R)-1-(cyclohexen-1-yl)ethyl]-4-(3-hydroxy-3-methylbutyl)benzamide
CID 95882818
4-[[(1S)-1-(cyclohexen-1-yl)ethyl]amino]-4-oxobutanoic acid
CID 126444702
N-[1-(cyclohexen-1-yl)ethyl]-6-oxo-1H-pyridine-2-carboxamide
CID 131912358
6-[4-[[(1S)-1-(cyclohexen-1-yl)ethyl]carbamoyl]phenyl]-N,N-dimethylpyrazine-2-carboxamide
CID 126439353
N-[1-(cyclohexen-1-yl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 70725515
2-amino-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide
CID 131895376
N-[(1S)-1-(cyclohexen-1-yl)ethyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide
CID 164634372

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(cyclohexen-1-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide?
The IUPAC name of 2-amino-N-[1-(cyclohexen-1-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide (CID 131902997) is 2-amino-N-[1-(cyclohexen-1-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide.
What is the SMILES notation for 2-amino-N-[1-(cyclohexen-1-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide?
The canonical SMILES for 2-amino-N-[1-(cyclohexen-1-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide is CC(NC(=O)c1nc(N)nc2c1CCCC2)C1=CCCCC1.
What is the InChIKey of 2-amino-N-[1-(cyclohexen-1-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide?
The InChIKey is DFSKRGBBJXRJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-11(12-7-3-2-4-8-12)19-16(22)15-13-9-5-6-10-14(13)20-17(18)21-15/h7,11H,2-6,8-10H2,1H3,(H,19,22)(H2,18,20,21).
What are the key properties of 2-amino-N-[1-(cyclohexen-1-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide?
2-amino-N-[1-(cyclohexen-1-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide has a molecular weight of 300.41 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(cyclohexen-1-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide is sourced from PubChem (CID 131902997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).