N-(3-methylbutyl)-4-oxo-3H-quinazoline-7-carboxamide

C14H17N3O2 — CID 135633054

IUPACN-(3-methylbutyl)-4-oxo-3H-quinazoline-7-carboxamide
SMILESCC(C)CCNC(=O)c1ccc2c(=O)[nH]cnc2c1
InChIInChI=1S/C14H17N3O2/c1-9(2)5-6-15-13(18)10-3-4-11-12(7-10)16-8-17-14(11)19/h3-4,7-9H,5-6H2,1-2H3,(H,15,18)(H,16,17,19)
InChIKeyZQANQOCPSCPYNI-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.70
Rot. Bonds4

About N-(3-methylbutyl)-4-oxo-3H-quinazoline-7-carboxamide

N-(3-methylbutyl)-4-oxo-3H-quinazoline-7-carboxamide (PubChem CID 135633054) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-(3-methylbutyl)-4-oxo-3H-quinazoline-7-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-4-oxo-3H-quinazoline-7-carboxamide
PubChem CID135633054
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-(3-methylbutyl)-4-oxo-3H-quinazoline-7-carboxamide
SMILESCC(C)CCNC(=O)c1ccc2c(=O)[nH]cnc2c1
InChIInChI=1S/C14H17N3O2/c1-9(2)5-6-15-13(18)10-3-4-11-12(7-10)16-8-17-14(11)19/h3-4,7-9H,5-6H2,1-2H3,(H,15,18)(H,16,17,19)
InChIKeyZQANQOCPSCPYNI-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

7-(2-bromoacetyl)-3H-quinazolin-4-one
CID 135714637
2-[[6-(3-methylbutylcarbamoyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl]sulfanyl]acetic acid
CID 6622730
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-yl]-4-oxo-3H-quinazoline-7-carboxamide
CID 154873280
3-methoxy-N-(3-methylbutyl)-2-propylindazole-6-carboxamide
CID 71425614
7-(1-nitrosoethyl)-3H-quinazolin-4-one
CID 137028703
4-fluoro-3-methyl-N-(3-methylbutyl)benzamide
CID 63212522
N-(2-acetamidoethyl)-3H-benzimidazole-5-carboxamide
CID 43397895
4-iodo-N-(3-methylbutyl)benzamide
CID 2232834
N-[2-[methyl(propan-2-yl)amino]ethyl]-3H-benzimidazole-5-carboxamide
CID 62635083
1-methyl-N-(3-methylbutyl)-2-oxopyridine-4-carboxamide
CID 35556772
N-(6-methylheptan-2-yl)-3H-benzimidazole-5-carboxamide
CID 47105831
N-(3-methylbutyl)-1H-pyrrole-3-carboxamide
CID 110691119

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-4-oxo-3H-quinazoline-7-carboxamide?
The IUPAC name of N-(3-methylbutyl)-4-oxo-3H-quinazoline-7-carboxamide (CID 135633054) is N-(3-methylbutyl)-4-oxo-3H-quinazoline-7-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-4-oxo-3H-quinazoline-7-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-4-oxo-3H-quinazoline-7-carboxamide is CC(C)CCNC(=O)c1ccc2c(=O)[nH]cnc2c1.
What is the InChIKey of N-(3-methylbutyl)-4-oxo-3H-quinazoline-7-carboxamide?
The InChIKey is ZQANQOCPSCPYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-9(2)5-6-15-13(18)10-3-4-11-12(7-10)16-8-17-14(11)19/h3-4,7-9H,5-6H2,1-2H3,(H,15,18)(H,16,17,19).
What are the key properties of N-(3-methylbutyl)-4-oxo-3H-quinazoline-7-carboxamide?
N-(3-methylbutyl)-4-oxo-3H-quinazoline-7-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)-4-oxo-3H-quinazoline-7-carboxamide is sourced from PubChem (CID 135633054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).