2-[4-(2-butyl-4-oxoquinazolin-3-yl)phenyl]guanidine

C19H21N5O — CID 24989132

IUPAC2-[4-(2-butyl-4-oxoquinazolin-3-yl)phenyl]guanidine
SMILESCCCCc1nc2ccccc2c(=O)n1-c1ccc(N=C(N)N)cc1
InChIInChI=1S/C19H21N5O/c1-2-3-8-17-23-16-7-5-4-6-15(16)18(25)24(17)14-11-9-13(10-12-14)22-19(20)21/h4-7,9-12H,2-3,8H2,1H3,(H4,20,21,22)
InChIKeyKHGQHQJZSKKKNF-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.63
Rot. Bonds5

About 2-[4-(2-butyl-4-oxoquinazolin-3-yl)phenyl]guanidine

2-[4-(2-butyl-4-oxoquinazolin-3-yl)phenyl]guanidine (PubChem CID 24989132) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-[4-(2-butyl-4-oxoquinazolin-3-yl)phenyl]guanidine.

Molecular Properties

Compound Name2-[4-(2-butyl-4-oxoquinazolin-3-yl)phenyl]guanidine
PubChem CID24989132
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name2-[4-(2-butyl-4-oxoquinazolin-3-yl)phenyl]guanidine
SMILESCCCCc1nc2ccccc2c(=O)n1-c1ccc(N=C(N)N)cc1
InChIInChI=1S/C19H21N5O/c1-2-3-8-17-23-16-7-5-4-6-15(16)18(25)24(17)14-11-9-13(10-12-14)22-19(20)21/h4-7,9-12H,2-3,8H2,1H3,(H4,20,21,22)
InChIKeyKHGQHQJZSKKKNF-UHFFFAOYSA-N
XLogP2.63
TPSA99.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-[4-(4-oxo-2-propylquinazolin-3-yl)phenyl]-2-propylquinazolin-4-one
CID 12631795
[4-(2-butyl-4-oxoquinazolin-3-yl)phenyl]methyl N-tert-butylcarbamate
CID 24989164
N-[4-(2-butyl-4-oxoquinazolin-3-yl)phenyl]-N-methylpyrrolidine-1-carboxamide
CID 143730756
2-butyl-3-(2,3-dihydro-1H-indol-5-yl)quinazolin-4-one
CID 24989172
2-ethyl-3-phenylquinazolin-4-one
CID 719985
2-butyl-3-[2-(methylamino)phenyl]quinazolin-4-one
CID 71072745
ethane;2-ethyl-3-(4-methylphenyl)quinazolin-4-one
CID 90844218
2-butyl-3-[4-[(1-tert-butylpyrrolidin-3-yl)amino]phenyl]quinazolin-4-one
CID 91476912
2-[2-(dimethylamino)ethyl]-3-phenylquinazolin-4-one
CID 3239245
3-amino-2-heptylquinazolin-4-one
CID 154013236
2-[3-(4-butylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 42970537
2-(butylaminomethyl)-3-(4-methoxyphenyl)quinazolin-4-one
CID 131874393

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-butyl-4-oxoquinazolin-3-yl)phenyl]guanidine?
The IUPAC name of 2-[4-(2-butyl-4-oxoquinazolin-3-yl)phenyl]guanidine (CID 24989132) is 2-[4-(2-butyl-4-oxoquinazolin-3-yl)phenyl]guanidine.
What is the SMILES notation for 2-[4-(2-butyl-4-oxoquinazolin-3-yl)phenyl]guanidine?
The canonical SMILES for 2-[4-(2-butyl-4-oxoquinazolin-3-yl)phenyl]guanidine is CCCCc1nc2ccccc2c(=O)n1-c1ccc(N=C(N)N)cc1.
What is the InChIKey of 2-[4-(2-butyl-4-oxoquinazolin-3-yl)phenyl]guanidine?
The InChIKey is KHGQHQJZSKKKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-2-3-8-17-23-16-7-5-4-6-15(16)18(25)24(17)14-11-9-13(10-12-14)22-19(20)21/h4-7,9-12H,2-3,8H2,1H3,(H4,20,21,22).
What are the key properties of 2-[4-(2-butyl-4-oxoquinazolin-3-yl)phenyl]guanidine?
2-[4-(2-butyl-4-oxoquinazolin-3-yl)phenyl]guanidine has a molecular weight of 335.41 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-butyl-4-oxoquinazolin-3-yl)phenyl]guanidine is sourced from PubChem (CID 24989132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).