N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylhexanamide

C18H25N3O2 — CID 135962216

IUPACN-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylhexanamide
SMILESCCCCCC(=O)N(Cc1nc2ccccc2c(=O)[nH]1)C(C)C
InChIInChI=1S/C18H25N3O2/c1-4-5-6-11-17(22)21(13(2)3)12-16-19-15-10-8-7-9-14(15)18(23)20-16/h7-10,13H,4-6,11-12H2,1-3H3,(H,19,20,23)
InChIKeyFXAADWXDVBGBPJ-UHFFFAOYSA-N
MW315.42 g/mol
LogP3.24
Rot. Bonds7

About N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylhexanamide

N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylhexanamide (PubChem CID 135962216) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylhexanamide.

Molecular Properties

Compound NameN-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylhexanamide
PubChem CID135962216
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylhexanamide
SMILESCCCCCC(=O)N(Cc1nc2ccccc2c(=O)[nH]1)C(C)C
InChIInChI=1S/C18H25N3O2/c1-4-5-6-11-17(22)21(13(2)3)12-16-19-15-10-8-7-9-14(15)18(23)20-16/h7-10,13H,4-6,11-12H2,1-3H3,(H,19,20,23)
InChIKeyFXAADWXDVBGBPJ-UHFFFAOYSA-N
XLogP3.24
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylhexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbutanamide
CID 135962185
4-(2-methylphenoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbutanamide
CID 137284798
3-(4-chlorophenyl)sulfanyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpropanamide
CID 135962235
3-(1H-indol-3-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpropanamide
CID 135962225
2-(2-methyl-1H-indol-3-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylacetamide
CID 137287040
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpropanamide
CID 135993449
3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpropanamide
CID 135949301
4-amino-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pentanamide
CID 137100232
2-(4-methoxyphenyl)sulfanyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylacetamide
CID 137306021
4-tert-butyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbenzamide
CID 135962244
(1S)-2,2-dichloro-1-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylcyclopropane-1-carboxamide
CID 136712327
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-(5-phenyltetrazol-2-yl)-N-propan-2-ylacetamide
CID 137281126

Frequently Asked Questions

What is the IUPAC name of N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylhexanamide?
The IUPAC name of N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylhexanamide (CID 135962216) is N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylhexanamide.
What is the SMILES notation for N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylhexanamide?
The canonical SMILES for N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylhexanamide is CCCCCC(=O)N(Cc1nc2ccccc2c(=O)[nH]1)C(C)C.
What is the InChIKey of N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylhexanamide?
The InChIKey is FXAADWXDVBGBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-4-5-6-11-17(22)21(13(2)3)12-16-19-15-10-8-7-9-14(15)18(23)20-16/h7-10,13H,4-6,11-12H2,1-3H3,(H,19,20,23).
What are the key properties of N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylhexanamide?
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylhexanamide has a molecular weight of 315.42 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylhexanamide is sourced from PubChem (CID 135962216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).