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

C16H23N3O2 — CID 3161012

IUPACN-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-2-ethylbutanamide
SMILESCCC(CC)C(=O)Nc1ncc2c(n1)CC(C)(C)CC2=O
InChIInChI=1S/C16H23N3O2/c1-5-10(6-2)14(21)19-15-17-9-11-12(18-15)7-16(3,4)8-13(11)20/h9-10H,5-8H2,1-4H3,(H,17,18,19,21)
InChIKeyUKWBKPUKWPREOX-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.01
Rot. Bonds4

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

N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-2-ethylbutanamide (PubChem CID 3161012) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-2-ethylbutanamide.

Molecular Properties

Compound NameN-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-2-ethylbutanamide
PubChem CID3161012
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-2-ethylbutanamide
SMILESCCC(CC)C(=O)Nc1ncc2c(n1)CC(C)(C)CC2=O
InChIInChI=1S/C16H23N3O2/c1-5-10(6-2)14(21)19-15-17-9-11-12(18-15)7-16(3,4)8-13(11)20/h9-10H,5-8H2,1-4H3,(H,17,18,19,21)
InChIKeyUKWBKPUKWPREOX-UHFFFAOYSA-N
XLogP3.01
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.01
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)-2-ethylbutanamide?
The IUPAC name of N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-2-ethylbutanamide (CID 3161012) is N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-2-ethylbutanamide.
What is the SMILES notation for N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-2-ethylbutanamide?
The canonical SMILES for N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-2-ethylbutanamide is CCC(CC)C(=O)Nc1ncc2c(n1)CC(C)(C)CC2=O.
What is the InChIKey of N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-2-ethylbutanamide?
The InChIKey is UKWBKPUKWPREOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-5-10(6-2)14(21)19-15-17-9-11-12(18-15)7-16(3,4)8-13(11)20/h9-10H,5-8H2,1-4H3,(H,17,18,19,21).
What are the key properties of N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-2-ethylbutanamide?
N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-2-ethylbutanamide has a molecular weight of 289.38 g/mol, XLogP of 3.01, 4 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)-2-ethylbutanamide is sourced from PubChem (CID 3161012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).