N-(2-ethyl-4-oxoquinazolin-3-yl)cycloheptanecarboxamide

C18H23N3O2 — CID 24823328

IUPACN-(2-ethyl-4-oxoquinazolin-3-yl)cycloheptanecarboxamide
SMILESCCc1nc2ccccc2c(=O)n1NC(=O)C1CCCCCC1
InChIInChI=1S/C18H23N3O2/c1-2-16-19-15-12-8-7-11-14(15)18(23)21(16)20-17(22)13-9-5-3-4-6-10-13/h7-8,11-13H,2-6,9-10H2,1H3,(H,20,22)
InChIKeyPKIJIWDHXPLAES-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.00
Rot. Bonds3

About N-(2-ethyl-4-oxoquinazolin-3-yl)cycloheptanecarboxamide

N-(2-ethyl-4-oxoquinazolin-3-yl)cycloheptanecarboxamide (PubChem CID 24823328) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-(2-ethyl-4-oxoquinazolin-3-yl)cycloheptanecarboxamide.

Molecular Properties

Compound NameN-(2-ethyl-4-oxoquinazolin-3-yl)cycloheptanecarboxamide
PubChem CID24823328
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-(2-ethyl-4-oxoquinazolin-3-yl)cycloheptanecarboxamide
SMILESCCc1nc2ccccc2c(=O)n1NC(=O)C1CCCCCC1
InChIInChI=1S/C18H23N3O2/c1-2-16-19-15-12-8-7-11-14(15)18(23)21(16)20-17(22)13-9-5-3-4-6-10-13/h7-8,11-13H,2-6,9-10H2,1H3,(H,20,22)
InChIKeyPKIJIWDHXPLAES-UHFFFAOYSA-N
XLogP3.00
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopentyl-N-(2-ethyl-4-oxoquinazolin-3-yl)acetamide
CID 24823326
N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]cyclohexanecarboxamide
CID 110351985
(2-ethyl-4-oxoquinazolin-3-yl)thiourea
CID 12516860
N-(2-ethyl-4-oxoquinazolin-3-yl)-2-phenylbutanamide
CID 12994903
2-[(1S,2S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]-N-(2-ethyl-4-oxoquinazolin-3-yl)acetamide
CID 68754311
N,N-dicyclohexyl-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide
CID 23967281
2-(3,5-difluorophenyl)-N-(2-ethyl-4-oxoquinazolin-3-yl)acetamide
CID 70838580
methyl 2-[(2-ethyl-4-oxoquinazolin-3-yl)amino]-2-methylpropanoate
CID 23255841
1-(2-ethyl-4-oxoquinazolin-3-yl)-3-[(4-fluorophenyl)methyl]urea
CID 70838560
ethane;2-ethyl-3-methylquinazolin-4-one
CID 143999559
2-ethyl-3-[(2-methylpropan-2-yl)oxyamino]quinazolin-4-one
CID 10659082
2-cycloheptyl-N-(2-cyclohexyl-4-oxoquinazolin-3-yl)acetamide
CID 70838370

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-4-oxoquinazolin-3-yl)cycloheptanecarboxamide?
The IUPAC name of N-(2-ethyl-4-oxoquinazolin-3-yl)cycloheptanecarboxamide (CID 24823328) is N-(2-ethyl-4-oxoquinazolin-3-yl)cycloheptanecarboxamide.
What is the SMILES notation for N-(2-ethyl-4-oxoquinazolin-3-yl)cycloheptanecarboxamide?
The canonical SMILES for N-(2-ethyl-4-oxoquinazolin-3-yl)cycloheptanecarboxamide is CCc1nc2ccccc2c(=O)n1NC(=O)C1CCCCCC1.
What is the InChIKey of N-(2-ethyl-4-oxoquinazolin-3-yl)cycloheptanecarboxamide?
The InChIKey is PKIJIWDHXPLAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-2-16-19-15-12-8-7-11-14(15)18(23)21(16)20-17(22)13-9-5-3-4-6-10-13/h7-8,11-13H,2-6,9-10H2,1H3,(H,20,22).
What are the key properties of N-(2-ethyl-4-oxoquinazolin-3-yl)cycloheptanecarboxamide?
N-(2-ethyl-4-oxoquinazolin-3-yl)cycloheptanecarboxamide has a molecular weight of 313.40 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-4-oxoquinazolin-3-yl)cycloheptanecarboxamide is sourced from PubChem (CID 24823328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).