N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]cyclohexanecarboxamide

C17H21N3O2 — CID 136767866

IUPACN-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]cyclohexanecarboxamide
SMILESO=C(NCCc1nc2ccccc2c(=O)[nH]1)C1CCCCC1
InChIInChI=1S/C17H21N3O2/c21-16(12-6-2-1-3-7-12)18-11-10-15-19-14-9-5-4-8-13(14)17(22)20-15/h4-5,8-9,12H,1-3,6-7,10-11H2,(H,18,21)(H,19,20,22)
InChIKeyULVQDDDTMQPDAJ-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.16
Rot. Bonds4

About N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]cyclohexanecarboxamide

N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]cyclohexanecarboxamide (PubChem CID 136767866) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]cyclohexanecarboxamide
PubChem CID136767866
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]cyclohexanecarboxamide
SMILESO=C(NCCc1nc2ccccc2c(=O)[nH]1)C1CCCCC1
InChIInChI=1S/C17H21N3O2/c21-16(12-6-2-1-3-7-12)18-11-10-15-19-14-9-5-4-8-13(14)17(22)20-15/h4-5,8-9,12H,1-3,6-7,10-11H2,(H,18,21)(H,19,20,22)
InChIKeyULVQDDDTMQPDAJ-UHFFFAOYSA-N
XLogP2.16
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,3R,4R)-3-amino-4-hydroxy-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]cyclohexane-1-carboxamide
CID 155504407
N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 136811645
(3R)-N-butyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidine-3-carboxamide
CID 136853798
(3R)-1-cycloheptyl-6-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidine-3-carboxamide
CID 136696816
3-(4-oxo-3H-quinazolin-2-yl)-N-(2-phenylethyl)propanamide
CID 135636453
N-(2-naphthalen-1-ylethyl)cyclohexanecarboxamide
CID 19963481
3-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]cyclohexane-1-carboxamide
CID 119835113
2-(5-oxo-2-phenylcyclopenten-1-yl)-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]acetamide
CID 137242270
4-methoxy-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]benzamide
CID 136767880
1-[4-(4-oxo-3H-quinazolin-2-yl)butanoyl]-N-phenylpiperidine-3-carboxamide
CID 137316079
N-cyclopentyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]cyclopropanecarboxamide
CID 135429091
(2S,4S)-N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(cyclopentanecarbonylamino)-1-methylpyrrolidine-2-carboxamide
CID 56720580

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]cyclohexanecarboxamide (CID 136767866) is N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]cyclohexanecarboxamide is O=C(NCCc1nc2ccccc2c(=O)[nH]1)C1CCCCC1.
What is the InChIKey of N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]cyclohexanecarboxamide?
The InChIKey is ULVQDDDTMQPDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c21-16(12-6-2-1-3-7-12)18-11-10-15-19-14-9-5-4-8-13(14)17(22)20-15/h4-5,8-9,12H,1-3,6-7,10-11H2,(H,18,21)(H,19,20,22).
What are the key properties of N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]cyclohexanecarboxamide?
N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]cyclohexanecarboxamide has a molecular weight of 299.37 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 136767866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).