1-[(3-methoxyphenyl)methyl]-3-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide

C21H23N3O5S — CID 121398203

IUPAC1-[(3-methoxyphenyl)methyl]-3-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide
SMILESCOc1cccc(Cn2c(=O)n(C)c(=O)c3cc(S(=O)(=O)NC4(C)CC4)ccc32)c1
InChIInChI=1S/C21H23N3O5S/c1-21(9-10-21)22-30(27,28)16-7-8-18-17(12-16)19(25)23(2)20(26)24(18)13-14-5-4-6-15(11-14)29-3/h4-8,11-12,22H,9-10,13H2,1-3H3
InChIKeyFBFOXSGXSKNSIC-UHFFFAOYSA-N
MW429.50 g/mol
LogP1.59
Rot. Bonds6

About 1-[(3-methoxyphenyl)methyl]-3-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide

1-[(3-methoxyphenyl)methyl]-3-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide (PubChem CID 121398203) has the molecular formula C21H23N3O5S and a molecular weight of 429.50 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)methyl]-3-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide.

Molecular Properties

Compound Name1-[(3-methoxyphenyl)methyl]-3-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide
PubChem CID121398203
Molecular FormulaC21H23N3O5S
Molecular Weight429.50 g/mol
Exact Mass429.14
IUPAC Name1-[(3-methoxyphenyl)methyl]-3-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide
SMILESCOc1cccc(Cn2c(=O)n(C)c(=O)c3cc(S(=O)(=O)NC4(C)CC4)ccc32)c1
InChIInChI=1S/C21H23N3O5S/c1-21(9-10-21)22-30(27,28)16-7-8-18-17(12-16)19(25)23(2)20(26)24(18)13-14-5-4-6-15(11-14)29-3/h4-8,11-12,22H,9-10,13H2,1-3H3
InChIKeyFBFOXSGXSKNSIC-UHFFFAOYSA-N
XLogP1.59
TPSA99.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[(3-methoxyphenyl)methyl]-3-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide with MolForge

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Related Compounds

4-[2-(6-methoxy-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)ethyl]benzenesulfonamide
CID 127044834
2-[3-(Diethylsulfamoyl)benzamido]-N-(4-methoxyphenyl)benzamide
CID 4651552
1-[(4-methoxyphenyl)methyl]-3-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide
CID 121398519
3-Benzyl-2-(3-methoxyphenyl)-2,3-dihydro-4(1H)-quinazolinone
CID 563542
2-(3-methoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 484117
N~3~-[(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-6-yl)sulfonyl]-N~1~-(4-methoxyphenyl)-beta-alaninamide
CID 3237938
4-(2,4-dioxo-1H-quinazolin-3-yl)-N-(4-methoxyphenyl)butanamide
CID 3239615
5-(2,4-dioxo-1H-quinazolin-3-yl)-N-(4-methoxyphenyl)pentanamide
CID 3241818
2-[4-(2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)phenyl]-N-(3-methoxybenzyl)acetamide
CID 3599783
N-(2,4-Dimethoxyphenyl)-3-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)propanamide
CID 9550308
4-(8-methoxy-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzenesulfonamide
CID 10737428
N-{2-[4-(aminosulfonyl)phenyl]ethyl}-3-(4-methoxybenzyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
CID 16003833

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)methyl]-3-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide?
The IUPAC name of 1-[(3-methoxyphenyl)methyl]-3-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide (CID 121398203) is 1-[(3-methoxyphenyl)methyl]-3-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide.
What is the SMILES notation for 1-[(3-methoxyphenyl)methyl]-3-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide?
The canonical SMILES for 1-[(3-methoxyphenyl)methyl]-3-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide is COc1cccc(Cn2c(=O)n(C)c(=O)c3cc(S(=O)(=O)NC4(C)CC4)ccc32)c1.
What is the InChIKey of 1-[(3-methoxyphenyl)methyl]-3-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide?
The InChIKey is FBFOXSGXSKNSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5S/c1-21(9-10-21)22-30(27,28)16-7-8-18-17(12-16)19(25)23(2)20(26)24(18)13-14-5-4-6-15(11-14)29-3/h4-8,11-12,22H,9-10,13H2,1-3H3.
What are the key properties of 1-[(3-methoxyphenyl)methyl]-3-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide?
1-[(3-methoxyphenyl)methyl]-3-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide has a molecular weight of 429.50 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyphenyl)methyl]-3-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide is sourced from PubChem (CID 121398203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).