7-chloro-2-(hydroxymethyl)-3-methyl-4-oxoquinazoline-6-sulfonamide

C10H10ClN3O4S — CID 154108236

IUPAC7-chloro-2-(hydroxymethyl)-3-methyl-4-oxoquinazoline-6-sulfonamide
SMILESCn1c(CO)nc2cc(Cl)c(S(N)(=O)=O)cc2c1=O
InChIInChI=1S/C10H10ClN3O4S/c1-14-9(4-15)13-7-3-6(11)8(19(12,17)18)2-5(7)10(14)16/h2-3,15H,4H2,1H3,(H2,12,17,18)
InChIKeyXGVXPTRBUUGREV-UHFFFAOYSA-N
MW303.73 g/mol
LogP-0.27
Rot. Bonds2

About 7-chloro-2-(hydroxymethyl)-3-methyl-4-oxoquinazoline-6-sulfonamide

7-chloro-2-(hydroxymethyl)-3-methyl-4-oxoquinazoline-6-sulfonamide (PubChem CID 154108236) has the molecular formula C10H10ClN3O4S and a molecular weight of 303.73 g/mol. Its IUPAC name is 7-chloro-2-(hydroxymethyl)-3-methyl-4-oxoquinazoline-6-sulfonamide.

Molecular Properties

Compound Name7-chloro-2-(hydroxymethyl)-3-methyl-4-oxoquinazoline-6-sulfonamide
PubChem CID154108236
Molecular FormulaC10H10ClN3O4S
Molecular Weight303.73 g/mol
Exact Mass303.01
IUPAC Name7-chloro-2-(hydroxymethyl)-3-methyl-4-oxoquinazoline-6-sulfonamide
SMILESCn1c(CO)nc2cc(Cl)c(S(N)(=O)=O)cc2c1=O
InChIInChI=1S/C10H10ClN3O4S/c1-14-9(4-15)13-7-3-6(11)8(19(12,17)18)2-5(7)10(14)16/h2-3,15H,4H2,1H3,(H2,12,17,18)
InChIKeyXGVXPTRBUUGREV-UHFFFAOYSA-N
XLogP-0.27
TPSA115.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.73
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethane;2-(hydroxymethyl)-3-methylquinazolin-4-one
CID 91302678
7-chloro-4-oxo-2-propan-2-yl-3H-quinazoline-6-sulfonamide
CID 137292748
2-(aminomethyl)-3,7-dimethylquinazolin-4-one
CID 84777308
6-chloro-2-(5-chloro-6-sulfamoyl-1H-benzimidazol-2-yl)-3H-benzimidazole-5-sulfonamide
CID 13289712
6-chloro-2-propyl-3H-benzimidazole-5-sulfonamide
CID 13289697
(6-amino-3-methylimidazo[4,5-b]pyridin-2-yl)methanol
CID 66888727
6-chloro-2-[2-(diethylamino)ethyl]-1,3-dioxoisoindole-5-sulfonamide
CID 13473189
methyl 3-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)propanoate
CID 139769291
2,5-dichloro-4-methylbenzenesulfonamide
CID 104727916
7-chloro-3-oxo-4H-quinoxaline-6-sulfonamide
CID 141007133
4-fluoro-2-methyl-N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]benzenesulfonamide
CID 110352078
2-(aminomethyl)-3-methylquinazolin-4-one;hydrochloride
CID 75537334

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(hydroxymethyl)-3-methyl-4-oxoquinazoline-6-sulfonamide?
The IUPAC name of 7-chloro-2-(hydroxymethyl)-3-methyl-4-oxoquinazoline-6-sulfonamide (CID 154108236) is 7-chloro-2-(hydroxymethyl)-3-methyl-4-oxoquinazoline-6-sulfonamide.
What is the SMILES notation for 7-chloro-2-(hydroxymethyl)-3-methyl-4-oxoquinazoline-6-sulfonamide?
The canonical SMILES for 7-chloro-2-(hydroxymethyl)-3-methyl-4-oxoquinazoline-6-sulfonamide is Cn1c(CO)nc2cc(Cl)c(S(N)(=O)=O)cc2c1=O.
What is the InChIKey of 7-chloro-2-(hydroxymethyl)-3-methyl-4-oxoquinazoline-6-sulfonamide?
The InChIKey is XGVXPTRBUUGREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O4S/c1-14-9(4-15)13-7-3-6(11)8(19(12,17)18)2-5(7)10(14)16/h2-3,15H,4H2,1H3,(H2,12,17,18).
What are the key properties of 7-chloro-2-(hydroxymethyl)-3-methyl-4-oxoquinazoline-6-sulfonamide?
7-chloro-2-(hydroxymethyl)-3-methyl-4-oxoquinazoline-6-sulfonamide has a molecular weight of 303.73 g/mol, XLogP of -0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(hydroxymethyl)-3-methyl-4-oxoquinazoline-6-sulfonamide is sourced from PubChem (CID 154108236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).