N-but-3-ynyl-3-(4-oxoquinazolin-3-yl)propanamide

C15H15N3O2 — CID 90537872

IUPACN-but-3-ynyl-3-(4-oxoquinazolin-3-yl)propanamide
SMILESC#CCCNC(=O)CCn1cnc2ccccc2c1=O
InChIInChI=1S/C15H15N3O2/c1-2-3-9-16-14(19)8-10-18-11-17-13-7-5-4-6-12(13)15(18)20/h1,4-7,11H,3,8-10H2,(H,16,19)
InChIKeyVIZABECQXQJXHX-UHFFFAOYSA-N
MW269.30 g/mol
LogP0.93
Rot. Bonds5

About N-but-3-ynyl-3-(4-oxoquinazolin-3-yl)propanamide

N-but-3-ynyl-3-(4-oxoquinazolin-3-yl)propanamide (PubChem CID 90537872) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is N-but-3-ynyl-3-(4-oxoquinazolin-3-yl)propanamide.

Molecular Properties

Compound NameN-but-3-ynyl-3-(4-oxoquinazolin-3-yl)propanamide
PubChem CID90537872
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC NameN-but-3-ynyl-3-(4-oxoquinazolin-3-yl)propanamide
SMILESC#CCCNC(=O)CCn1cnc2ccccc2c1=O
InChIInChI=1S/C15H15N3O2/c1-2-3-9-16-14(19)8-10-18-11-17-13-7-5-4-6-12(13)15(18)20/h1,4-7,11H,3,8-10H2,(H,16,19)
InChIKeyVIZABECQXQJXHX-UHFFFAOYSA-N
XLogP0.93
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(methylamino)ethyl]-3-(4-oxoquinazolin-3-yl)propanamide;hydrochloride
CID 119502460
N-[2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 91818526
N-[(4-chlorophenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 1301490
N-[4-(4-methylpiperazin-1-yl)butyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 55656687
N-[3-(2-methoxyethoxy)propyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 134041947
N-[(2,6-difluorophenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 75489122
3-(4-oxoquinazolin-3-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 26835386
3-(4-oxoquinazolin-3-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 4870595
N-nonyl-4-(4-oxoquinazolin-3-yl)butanamide
CID 43052254
N-[(3-fluoro-4-methylphenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 34487848
N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 35828474
N-[4-(2-methoxyphenoxy)but-2-ynyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 90575511

Frequently Asked Questions

What is the IUPAC name of N-but-3-ynyl-3-(4-oxoquinazolin-3-yl)propanamide?
The IUPAC name of N-but-3-ynyl-3-(4-oxoquinazolin-3-yl)propanamide (CID 90537872) is N-but-3-ynyl-3-(4-oxoquinazolin-3-yl)propanamide.
What is the SMILES notation for N-but-3-ynyl-3-(4-oxoquinazolin-3-yl)propanamide?
The canonical SMILES for N-but-3-ynyl-3-(4-oxoquinazolin-3-yl)propanamide is C#CCCNC(=O)CCn1cnc2ccccc2c1=O.
What is the InChIKey of N-but-3-ynyl-3-(4-oxoquinazolin-3-yl)propanamide?
The InChIKey is VIZABECQXQJXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-2-3-9-16-14(19)8-10-18-11-17-13-7-5-4-6-12(13)15(18)20/h1,4-7,11H,3,8-10H2,(H,16,19).
What are the key properties of N-but-3-ynyl-3-(4-oxoquinazolin-3-yl)propanamide?
N-but-3-ynyl-3-(4-oxoquinazolin-3-yl)propanamide has a molecular weight of 269.30 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-ynyl-3-(4-oxoquinazolin-3-yl)propanamide is sourced from PubChem (CID 90537872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).