N-(3-methylbutyl)-2-oxo-1H-quinazoline-4-carboxamide

C14H17N3O2 — CID 110702557

IUPACN-(3-methylbutyl)-2-oxo-1H-quinazoline-4-carboxamide
SMILESCC(C)CCNC(=O)c1nc(=O)[nH]c2ccccc12
InChIInChI=1S/C14H17N3O2/c1-9(2)7-8-15-13(18)12-10-5-3-4-6-11(10)16-14(19)17-12/h3-6,9H,7-8H2,1-2H3,(H,15,18)(H,16,17,19)
InChIKeyLMGPPNAIUNHHSZ-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.70
Rot. Bonds4

About N-(3-methylbutyl)-2-oxo-1H-quinazoline-4-carboxamide

N-(3-methylbutyl)-2-oxo-1H-quinazoline-4-carboxamide (PubChem CID 110702557) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-oxo-1H-quinazoline-4-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-oxo-1H-quinazoline-4-carboxamide
PubChem CID110702557
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-(3-methylbutyl)-2-oxo-1H-quinazoline-4-carboxamide
SMILESCC(C)CCNC(=O)c1nc(=O)[nH]c2ccccc12
InChIInChI=1S/C14H17N3O2/c1-9(2)7-8-15-13(18)12-10-5-3-4-6-11(10)16-14(19)17-12/h3-6,9H,7-8H2,1-2H3,(H,15,18)(H,16,17,19)
InChIKeyLMGPPNAIUNHHSZ-UHFFFAOYSA-N
XLogP1.70
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methoxyphenoxy)ethyl]-2-oxo-1H-quinazoline-4-carboxamide
CID 110702552
N-[2-(4-methoxyphenyl)ethyl]-2-oxo-1H-quinazoline-4-carboxamide
CID 110702529
2-oxo-N-prop-2-enyl-1H-quinazoline-4-carboxamide
CID 110702484
N-(2-fluorophenyl)-2-oxo-1H-quinazoline-4-carboxamide
CID 110702579
N-cyclopentyl-2-oxo-1H-quinazoline-4-carboxamide
CID 110702489
N-(3-acetamidophenyl)-2-oxo-1H-quinazoline-4-carboxamide
CID 110702604
N-(2-methoxyphenyl)-2-oxo-1H-quinazoline-4-carboxamide
CID 110702587
N-(3-methylbutyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 2409947
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(3-methylbutyl)acetamide
CID 4064970
3-[2-(3-methylbutylamino)-2-oxoethyl]-1H-indole-2-carboxylate
CID 5184994
N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-oxo-1H-quinazoline-4-carboxamide
CID 91797778
N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-2-oxo-1H-quinazoline-4-carboxamide
CID 91772701

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-oxo-1H-quinazoline-4-carboxamide?
The IUPAC name of N-(3-methylbutyl)-2-oxo-1H-quinazoline-4-carboxamide (CID 110702557) is N-(3-methylbutyl)-2-oxo-1H-quinazoline-4-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-2-oxo-1H-quinazoline-4-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-2-oxo-1H-quinazoline-4-carboxamide is CC(C)CCNC(=O)c1nc(=O)[nH]c2ccccc12.
What is the InChIKey of N-(3-methylbutyl)-2-oxo-1H-quinazoline-4-carboxamide?
The InChIKey is LMGPPNAIUNHHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-9(2)7-8-15-13(18)12-10-5-3-4-6-11(10)16-14(19)17-12/h3-6,9H,7-8H2,1-2H3,(H,15,18)(H,16,17,19).
What are the key properties of N-(3-methylbutyl)-2-oxo-1H-quinazoline-4-carboxamide?
N-(3-methylbutyl)-2-oxo-1H-quinazoline-4-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-oxo-1H-quinazoline-4-carboxamide is sourced from PubChem (CID 110702557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).