4-(4-oxo-3H-quinazolin-2-yl)-N,N-bis(prop-2-enyl)butanamide

C18H21N3O2 — CID 137306035

IUPAC4-(4-oxo-3H-quinazolin-2-yl)-N,N-bis(prop-2-enyl)butanamide
SMILESC=CCN(CC=C)C(=O)CCCc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C18H21N3O2/c1-3-12-21(13-4-2)17(22)11-7-10-16-19-15-9-6-5-8-14(15)18(23)20-16/h3-6,8-9H,1-2,7,10-13H2,(H,19,20,23)
InChIKeyBCAWXAJYABKSDG-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.45
Rot. Bonds8

About 4-(4-oxo-3H-quinazolin-2-yl)-N,N-bis(prop-2-enyl)butanamide

4-(4-oxo-3H-quinazolin-2-yl)-N,N-bis(prop-2-enyl)butanamide (PubChem CID 137306035) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 4-(4-oxo-3H-quinazolin-2-yl)-N,N-bis(prop-2-enyl)butanamide.

Molecular Properties

Compound Name4-(4-oxo-3H-quinazolin-2-yl)-N,N-bis(prop-2-enyl)butanamide
PubChem CID137306035
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name4-(4-oxo-3H-quinazolin-2-yl)-N,N-bis(prop-2-enyl)butanamide
SMILESC=CCN(CC=C)C(=O)CCCc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C18H21N3O2/c1-3-12-21(13-4-2)17(22)11-7-10-16-19-15-9-6-5-8-14(15)18(23)20-16/h3-6,8-9H,1-2,7,10-13H2,(H,19,20,23)
InChIKeyBCAWXAJYABKSDG-UHFFFAOYSA-N
XLogP2.45
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-methylpropyl-[4-(4-oxo-3H-quinazolin-2-yl)butanoyl]amino]acetic acid
CID 136990420
N-[(4-cyanophenyl)methyl]-N-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137308282
N-(1-aminopropan-2-yl)-N-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137122484
N-methyl-4-(4-oxo-3H-quinazolin-2-yl)-N-(2-phenoxyethyl)butanamide
CID 135976954
methyl 4-[[methyl-[4-(4-oxo-3H-quinazolin-2-yl)butanoyl]amino]methyl]benzoate
CID 135915704
N-(3-aminopropyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide;hydrochloride
CID 137098154
N-(2,6-dimethylphenyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135848488
N-benzyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-4-thiophen-2-ylbutanamide
CID 135767267
N-[(2S)-1-aminopropan-2-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137024790
N-[(2,4-difluorophenyl)methyl]-N-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137278099
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135972244
N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137296710

Frequently Asked Questions

What is the IUPAC name of 4-(4-oxo-3H-quinazolin-2-yl)-N,N-bis(prop-2-enyl)butanamide?
The IUPAC name of 4-(4-oxo-3H-quinazolin-2-yl)-N,N-bis(prop-2-enyl)butanamide (CID 137306035) is 4-(4-oxo-3H-quinazolin-2-yl)-N,N-bis(prop-2-enyl)butanamide.
What is the SMILES notation for 4-(4-oxo-3H-quinazolin-2-yl)-N,N-bis(prop-2-enyl)butanamide?
The canonical SMILES for 4-(4-oxo-3H-quinazolin-2-yl)-N,N-bis(prop-2-enyl)butanamide is C=CCN(CC=C)C(=O)CCCc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 4-(4-oxo-3H-quinazolin-2-yl)-N,N-bis(prop-2-enyl)butanamide?
The InChIKey is BCAWXAJYABKSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-3-12-21(13-4-2)17(22)11-7-10-16-19-15-9-6-5-8-14(15)18(23)20-16/h3-6,8-9H,1-2,7,10-13H2,(H,19,20,23).
What are the key properties of 4-(4-oxo-3H-quinazolin-2-yl)-N,N-bis(prop-2-enyl)butanamide?
4-(4-oxo-3H-quinazolin-2-yl)-N,N-bis(prop-2-enyl)butanamide has a molecular weight of 311.39 g/mol, XLogP of 2.45, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-oxo-3H-quinazolin-2-yl)-N,N-bis(prop-2-enyl)butanamide is sourced from PubChem (CID 137306035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).