1-(cyclopropylmethyl)-3-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide

C17H21N3O4S — CID 121398509

IUPAC1-(cyclopropylmethyl)-3-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide
SMILESCn1c(=O)c2cc(S(=O)(=O)NC3(C)CC3)ccc2n(CC2CC2)c1=O
InChIInChI=1S/C17H21N3O4S/c1-17(7-8-17)18-25(23,24)12-5-6-14-13(9-12)15(21)19(2)16(22)20(14)10-11-3-4-11/h5-6,9,11,18H,3-4,7-8,10H2,1-2H3
InChIKeyAXMXMMJXTSJFHK-UHFFFAOYSA-N
MW363.44 g/mol
LogP0.94
Rot. Bonds5

About 1-(cyclopropylmethyl)-3-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide

1-(cyclopropylmethyl)-3-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide (PubChem CID 121398509) has the molecular formula C17H21N3O4S and a molecular weight of 363.44 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide
PubChem CID121398509
Molecular FormulaC17H21N3O4S
Molecular Weight363.44 g/mol
Exact Mass363.13
IUPAC Name1-(cyclopropylmethyl)-3-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide
SMILESCn1c(=O)c2cc(S(=O)(=O)NC3(C)CC3)ccc2n(CC2CC2)c1=O
InChIInChI=1S/C17H21N3O4S/c1-17(7-8-17)18-25(23,24)12-5-6-14-13(9-12)15(21)19(2)16(22)20(14)10-11-3-4-11/h5-6,9,11,18H,3-4,7-8,10H2,1-2H3
InChIKeyAXMXMMJXTSJFHK-UHFFFAOYSA-N
XLogP0.94
TPSA90.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide?
The IUPAC name of 1-(cyclopropylmethyl)-3-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide (CID 121398509) is 1-(cyclopropylmethyl)-3-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide?
The canonical SMILES for 1-(cyclopropylmethyl)-3-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide is Cn1c(=O)c2cc(S(=O)(=O)NC3(C)CC3)ccc2n(CC2CC2)c1=O.
What is the InChIKey of 1-(cyclopropylmethyl)-3-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide?
The InChIKey is AXMXMMJXTSJFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S/c1-17(7-8-17)18-25(23,24)12-5-6-14-13(9-12)15(21)19(2)16(22)20(14)10-11-3-4-11/h5-6,9,11,18H,3-4,7-8,10H2,1-2H3.
What are the key properties of 1-(cyclopropylmethyl)-3-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide?
1-(cyclopropylmethyl)-3-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide has a molecular weight of 363.44 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide is sourced from PubChem (CID 121398509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).