N-[(4-oxo-3H-quinazolin-2-yl)methyl]butane-1-sulfonamide

C13H17N3O3S — CID 137210253

IUPACN-[(4-oxo-3H-quinazolin-2-yl)methyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C13H17N3O3S/c1-2-3-8-20(18,19)14-9-12-15-11-7-5-4-6-10(11)13(17)16-12/h4-7,14H,2-3,8-9H2,1H3,(H,15,16,17)
InChIKeyYTCKNALOJDNZJP-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.14
Rot. Bonds6

About N-[(4-oxo-3H-quinazolin-2-yl)methyl]butane-1-sulfonamide

N-[(4-oxo-3H-quinazolin-2-yl)methyl]butane-1-sulfonamide (PubChem CID 137210253) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is N-[(4-oxo-3H-quinazolin-2-yl)methyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[(4-oxo-3H-quinazolin-2-yl)methyl]butane-1-sulfonamide
PubChem CID137210253
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC NameN-[(4-oxo-3H-quinazolin-2-yl)methyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C13H17N3O3S/c1-2-3-8-20(18,19)14-9-12-15-11-7-5-4-6-10(11)13(17)16-12/h4-7,14H,2-3,8-9H2,1H3,(H,15,16,17)
InChIKeyYTCKNALOJDNZJP-UHFFFAOYSA-N
XLogP1.14
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidine-1-sulfonamide
CID 154764510
methyl 4-(1H-benzimidazol-2-ylmethylsulfamoyl)butanoate
CID 78991617
2-(2-methylpentyl)-3H-quinazolin-4-one
CID 136798516
2-[(4-propylpiperazin-1-yl)methyl]-3H-quinazolin-4-one
CID 135802761
2-ethylsulfonyl-3H-quinazolin-4-one
CID 135760560
butyl-[2-(2-methylpropylamino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135809287
2-butoxy-3H-quinazolin-4-one
CID 136999718
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylhexanamide
CID 135962216
2-(aminomethyl)-3H-quinazolin-4-one;dihydrochloride
CID 137032189
2-[(1-methylsulfinylpropan-2-ylamino)methyl]-3H-quinazolin-4-one
CID 136931896
2-[(2-fluoro-6-methylanilino)methyl]-3H-quinazolin-4-one
CID 136952939
2-[[(4-methyloxan-4-yl)amino]methyl]-3H-quinazolin-4-one
CID 136984258

Frequently Asked Questions

What is the IUPAC name of N-[(4-oxo-3H-quinazolin-2-yl)methyl]butane-1-sulfonamide?
The IUPAC name of N-[(4-oxo-3H-quinazolin-2-yl)methyl]butane-1-sulfonamide (CID 137210253) is N-[(4-oxo-3H-quinazolin-2-yl)methyl]butane-1-sulfonamide.
What is the SMILES notation for N-[(4-oxo-3H-quinazolin-2-yl)methyl]butane-1-sulfonamide?
The canonical SMILES for N-[(4-oxo-3H-quinazolin-2-yl)methyl]butane-1-sulfonamide is CCCCS(=O)(=O)NCc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of N-[(4-oxo-3H-quinazolin-2-yl)methyl]butane-1-sulfonamide?
The InChIKey is YTCKNALOJDNZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-2-3-8-20(18,19)14-9-12-15-11-7-5-4-6-10(11)13(17)16-12/h4-7,14H,2-3,8-9H2,1H3,(H,15,16,17).
What are the key properties of N-[(4-oxo-3H-quinazolin-2-yl)methyl]butane-1-sulfonamide?
N-[(4-oxo-3H-quinazolin-2-yl)methyl]butane-1-sulfonamide has a molecular weight of 295.36 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-oxo-3H-quinazolin-2-yl)methyl]butane-1-sulfonamide is sourced from PubChem (CID 137210253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).