N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)propanamide

C13H17N3O2 — CID 585586

IUPACN-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)propanamide
SMILESCCC(=O)Nc1ncc2c(n1)CC(C)(C)CC2=O
InChIInChI=1S/C13H17N3O2/c1-4-11(18)16-12-14-7-8-9(15-12)5-13(2,3)6-10(8)17/h7H,4-6H2,1-3H3,(H,14,15,16,18)
InChIKeyAVHMQOCTQPJPSE-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.98
Rot. Bonds2

About N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)propanamide

N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)propanamide (PubChem CID 585586) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)propanamide.

Molecular Properties

Compound NameN-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)propanamide
PubChem CID585586
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC NameN-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)propanamide
SMILESCCC(=O)Nc1ncc2c(n1)CC(C)(C)CC2=O
InChIInChI=1S/C13H17N3O2/c1-4-11(18)16-12-14-7-8-9(15-12)5-13(2,3)6-10(8)17/h7H,4-6H2,1-3H3,(H,14,15,16,18)
InChIKeyAVHMQOCTQPJPSE-UHFFFAOYSA-N
XLogP1.98
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)propanamide?
The IUPAC name of N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)propanamide (CID 585586) is N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)propanamide.
What is the SMILES notation for N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)propanamide?
The canonical SMILES for N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)propanamide is CCC(=O)Nc1ncc2c(n1)CC(C)(C)CC2=O.
What is the InChIKey of N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)propanamide?
The InChIKey is AVHMQOCTQPJPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-4-11(18)16-12-14-7-8-9(15-12)5-13(2,3)6-10(8)17/h7H,4-6H2,1-3H3,(H,14,15,16,18).
What are the key properties of N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)propanamide?
N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)propanamide has a molecular weight of 247.30 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)propanamide is sourced from PubChem (CID 585586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).