N-(cyanomethyl)-N-cyclopropyl-3-(4-oxoquinazolin-3-yl)propanamide

C16H16N4O2 — CID 51097011

IUPACN-(cyanomethyl)-N-cyclopropyl-3-(4-oxoquinazolin-3-yl)propanamide
SMILESN#CCN(C(=O)CCn1cnc2ccccc2c1=O)C1CC1
InChIInChI=1S/C16H16N4O2/c17-8-10-20(12-5-6-12)15(21)7-9-19-11-18-14-4-2-1-3-13(14)16(19)22/h1-4,11-12H,5-7,9-10H2
InChIKeyXYUDIOOFZWSKQQ-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.30
Rot. Bonds5

About N-(cyanomethyl)-N-cyclopropyl-3-(4-oxoquinazolin-3-yl)propanamide

N-(cyanomethyl)-N-cyclopropyl-3-(4-oxoquinazolin-3-yl)propanamide (PubChem CID 51097011) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-(cyanomethyl)-N-cyclopropyl-3-(4-oxoquinazolin-3-yl)propanamide.

Molecular Properties

Compound NameN-(cyanomethyl)-N-cyclopropyl-3-(4-oxoquinazolin-3-yl)propanamide
PubChem CID51097011
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC NameN-(cyanomethyl)-N-cyclopropyl-3-(4-oxoquinazolin-3-yl)propanamide
SMILESN#CCN(C(=O)CCn1cnc2ccccc2c1=O)C1CC1
InChIInChI=1S/C16H16N4O2/c17-8-10-20(12-5-6-12)15(21)7-9-19-11-18-14-4-2-1-3-13(14)16(19)22/h1-4,11-12H,5-7,9-10H2
InChIKeyXYUDIOOFZWSKQQ-UHFFFAOYSA-N
XLogP1.30
TPSA78.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-N-[(2,6-difluorophenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 126788538
N-cyclopropyl-3-(4-oxoquinazolin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 38532450
N-(oxan-4-yl)-3-(4-oxoquinazolin-3-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 90610934
N-methyl-3-(4-oxoquinazolin-3-yl)-N-phenylpropanamide
CID 25298269
N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-3-(4-oxoquinazolin-3-yl)propanamide
CID 86817821
N-methyl-N-(2-methylpropyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 134058897
3-(4-oxoquinazolin-3-yl)-N-phenyl-N-prop-2-enylpropanamide
CID 52564428
4-[methyl-[3-(4-oxoquinazolin-3-yl)propanoyl]amino]butanoic acid
CID 119137206
2-[3-(4-oxoquinazolin-3-yl)propanoyl-propan-2-ylamino]acetic acid
CID 119198315
3-(2-chloroethyl)quinazolin-4-one
CID 4518743
3-(3-oxo-3-piperidin-1-ylpropyl)quinazolin-4-one
CID 4974516
N-methyl-3-(4-oxoquinazolin-3-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide
CID 45241139

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-N-cyclopropyl-3-(4-oxoquinazolin-3-yl)propanamide?
The IUPAC name of N-(cyanomethyl)-N-cyclopropyl-3-(4-oxoquinazolin-3-yl)propanamide (CID 51097011) is N-(cyanomethyl)-N-cyclopropyl-3-(4-oxoquinazolin-3-yl)propanamide.
What is the SMILES notation for N-(cyanomethyl)-N-cyclopropyl-3-(4-oxoquinazolin-3-yl)propanamide?
The canonical SMILES for N-(cyanomethyl)-N-cyclopropyl-3-(4-oxoquinazolin-3-yl)propanamide is N#CCN(C(=O)CCn1cnc2ccccc2c1=O)C1CC1.
What is the InChIKey of N-(cyanomethyl)-N-cyclopropyl-3-(4-oxoquinazolin-3-yl)propanamide?
The InChIKey is XYUDIOOFZWSKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c17-8-10-20(12-5-6-12)15(21)7-9-19-11-18-14-4-2-1-3-13(14)16(19)22/h1-4,11-12H,5-7,9-10H2.
What are the key properties of N-(cyanomethyl)-N-cyclopropyl-3-(4-oxoquinazolin-3-yl)propanamide?
N-(cyanomethyl)-N-cyclopropyl-3-(4-oxoquinazolin-3-yl)propanamide has a molecular weight of 296.33 g/mol, XLogP of 1.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-N-cyclopropyl-3-(4-oxoquinazolin-3-yl)propanamide is sourced from PubChem (CID 51097011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).