N-butylquinazoline-4-carboxamide

C13H15N3O — CID 110702643

IUPACN-butylquinazoline-4-carboxamide
SMILESCCCCNC(=O)c1ncnc2ccccc12
InChIInChI=1S/C13H15N3O/c1-2-3-8-14-13(17)12-10-6-4-5-7-11(10)15-9-16-12/h4-7,9H,2-3,8H2,1H3,(H,14,17)
InChIKeyLEWZMXMIIBYSKI-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.16
Rot. Bonds4

About N-butylquinazoline-4-carboxamide

N-butylquinazoline-4-carboxamide (PubChem CID 110702643) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is N-butylquinazoline-4-carboxamide.

Molecular Properties

Compound NameN-butylquinazoline-4-carboxamide
PubChem CID110702643
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC NameN-butylquinazoline-4-carboxamide
SMILESCCCCNC(=O)c1ncnc2ccccc12
InChIInChI=1S/C13H15N3O/c1-2-3-8-14-13(17)12-10-6-4-5-7-11(10)15-9-16-12/h4-7,9H,2-3,8H2,1H3,(H,14,17)
InChIKeyLEWZMXMIIBYSKI-UHFFFAOYSA-N
XLogP2.16
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylamino)propyl]quinazoline-4-carboxamide
CID 110702658
N-butyl-2-quinazolin-4-ylsulfanylacetamide
CID 2696151
N-(pyridin-4-ylmethyl)quinazoline-4-carboxamide
CID 110702680
N-butyl-3H-imidazo[4,5-c]quinoline-4-carboxamide;hydrochloride
CID 69086534
N-butyl-1-(methylamino)isoquinoline-4-carboxamide
CID 106769901
N-butyl-2-chloroquinoline-4-carboxamide
CID 14813194
N-(3-formamidopropyl)-4-(quinazolin-4-ylamino)benzamide
CID 110436285
N-butyl-1-quinazolin-4-ylpiperidine-3-carboxamide
CID 49431629
N-butyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 2286297
N-butyl-3-chloro-1,4-dihydroxynaphthalene-2-carboxamide
CID 122377688
N-propyl-2-(quinazolin-4-ylamino)acetamide
CID 39165546
N-butyl-4-phenylbenzamide
CID 3637649

Frequently Asked Questions

What is the IUPAC name of N-butylquinazoline-4-carboxamide?
The IUPAC name of N-butylquinazoline-4-carboxamide (CID 110702643) is N-butylquinazoline-4-carboxamide.
What is the SMILES notation for N-butylquinazoline-4-carboxamide?
The canonical SMILES for N-butylquinazoline-4-carboxamide is CCCCNC(=O)c1ncnc2ccccc12.
What is the InChIKey of N-butylquinazoline-4-carboxamide?
The InChIKey is LEWZMXMIIBYSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-2-3-8-14-13(17)12-10-6-4-5-7-11(10)15-9-16-12/h4-7,9H,2-3,8H2,1H3,(H,14,17).
What are the key properties of N-butylquinazoline-4-carboxamide?
N-butylquinazoline-4-carboxamide has a molecular weight of 229.28 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butylquinazoline-4-carboxamide is sourced from PubChem (CID 110702643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).