N-nonyl-4-(4-oxoquinazolin-3-yl)butanamide

C21H31N3O2 — CID 43052254

IUPACN-nonyl-4-(4-oxoquinazolin-3-yl)butanamide
SMILESCCCCCCCCCNC(=O)CCCn1cnc2ccccc2c1=O
InChIInChI=1S/C21H31N3O2/c1-2-3-4-5-6-7-10-15-22-20(25)14-11-16-24-17-23-19-13-9-8-12-18(19)21(24)26/h8-9,12-13,17H,2-7,10-11,14-16H2,1H3,(H,22,25)
InChIKeyCZZKOHQSFFTDLO-UHFFFAOYSA-N
MW357.50 g/mol
LogP4.04
Rot. Bonds12

About N-nonyl-4-(4-oxoquinazolin-3-yl)butanamide

N-nonyl-4-(4-oxoquinazolin-3-yl)butanamide (PubChem CID 43052254) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is N-nonyl-4-(4-oxoquinazolin-3-yl)butanamide.

Molecular Properties

Compound NameN-nonyl-4-(4-oxoquinazolin-3-yl)butanamide
PubChem CID43052254
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC NameN-nonyl-4-(4-oxoquinazolin-3-yl)butanamide
SMILESCCCCCCCCCNC(=O)CCCn1cnc2ccccc2c1=O
InChIInChI=1S/C21H31N3O2/c1-2-3-4-5-6-7-10-15-22-20(25)14-11-16-24-17-23-19-13-9-8-12-18(19)21(24)26/h8-9,12-13,17H,2-7,10-11,14-16H2,1H3,(H,22,25)
InChIKeyCZZKOHQSFFTDLO-UHFFFAOYSA-N
XLogP4.04
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 2286297
N-[4-(4-methylpiperazin-1-yl)butyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 55656687
N-[2-(2-methoxyphenyl)ethyl]-4-(4-oxoquinazolin-3-yl)butanamide
CID 34032078
4-chloro-N-[2-[4-(4-oxoquinazolin-3-yl)butanoylamino]ethyl]benzamide
CID 30753783
N-[2-(methylamino)ethyl]-3-(4-oxoquinazolin-3-yl)propanamide;hydrochloride
CID 119502460
N-[2-(1H-benzimidazol-2-yl)ethyl]-6-(4-oxoquinazolin-3-yl)hexanamide
CID 75490053
N-[2-(5-bromothiophen-2-yl)ethyl]-4-(4-oxoquinazolin-3-yl)butanamide
CID 30215788
N-[3-(2-methoxyethoxy)propyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 134041947
N-[2-(3-fluorophenyl)ethyl]-4-(4-oxoquinazolin-3-yl)butanamide
CID 29292801
3-[2-(butylamino)ethyl]quinazolin-4-one
CID 62562678
4-(4-oxoquinazolin-3-yl)-N-[(1-phenylcyclopropyl)methyl]butanamide
CID 17419592
N-but-3-ynyl-3-(4-oxoquinazolin-3-yl)propanamide
CID 90537872

Frequently Asked Questions

What is the IUPAC name of N-nonyl-4-(4-oxoquinazolin-3-yl)butanamide?
The IUPAC name of N-nonyl-4-(4-oxoquinazolin-3-yl)butanamide (CID 43052254) is N-nonyl-4-(4-oxoquinazolin-3-yl)butanamide.
What is the SMILES notation for N-nonyl-4-(4-oxoquinazolin-3-yl)butanamide?
The canonical SMILES for N-nonyl-4-(4-oxoquinazolin-3-yl)butanamide is CCCCCCCCCNC(=O)CCCn1cnc2ccccc2c1=O.
What is the InChIKey of N-nonyl-4-(4-oxoquinazolin-3-yl)butanamide?
The InChIKey is CZZKOHQSFFTDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-2-3-4-5-6-7-10-15-22-20(25)14-11-16-24-17-23-19-13-9-8-12-18(19)21(24)26/h8-9,12-13,17H,2-7,10-11,14-16H2,1H3,(H,22,25).
What are the key properties of N-nonyl-4-(4-oxoquinazolin-3-yl)butanamide?
N-nonyl-4-(4-oxoquinazolin-3-yl)butanamide has a molecular weight of 357.50 g/mol, XLogP of 4.04, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-nonyl-4-(4-oxoquinazolin-3-yl)butanamide is sourced from PubChem (CID 43052254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).