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

C18H25N5O4S — CID 134183410

IUPAC1-methyl-N-(1-methylcyclopropyl)-3-[(3-methylimidazolidin-4-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide
SMILESCN1CNCC1Cn1c(=O)c2cc(S(=O)(=O)NC3(C)CC3)ccc2n(C)c1=O
InChIInChI=1S/C18H25N5O4S/c1-18(6-7-18)20-28(26,27)13-4-5-15-14(8-13)16(24)23(17(25)22(15)3)10-12-9-19-11-21(12)2/h4-5,8,12,19-20H,6-7,9-11H2,1-3H3
InChIKeyMTUJKCRHJZSXOO-UHFFFAOYSA-N
MW407.50 g/mol
LogP-0.61
Rot. Bonds5

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

1-methyl-N-(1-methylcyclopropyl)-3-[(3-methylimidazolidin-4-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide (PubChem CID 134183410) has the molecular formula C18H25N5O4S and a molecular weight of 407.50 g/mol. Its IUPAC name is 1-methyl-N-(1-methylcyclopropyl)-3-[(3-methylimidazolidin-4-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-(1-methylcyclopropyl)-3-[(3-methylimidazolidin-4-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide
PubChem CID134183410
Molecular FormulaC18H25N5O4S
Molecular Weight407.50 g/mol
Exact Mass407.16
IUPAC Name1-methyl-N-(1-methylcyclopropyl)-3-[(3-methylimidazolidin-4-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide
SMILESCN1CNCC1Cn1c(=O)c2cc(S(=O)(=O)NC3(C)CC3)ccc2n(C)c1=O
InChIInChI=1S/C18H25N5O4S/c1-18(6-7-18)20-28(26,27)13-4-5-15-14(8-13)16(24)23(17(25)22(15)3)10-12-9-19-11-21(12)2/h4-5,8,12,19-20H,6-7,9-11H2,1-3H3
InChIKeyMTUJKCRHJZSXOO-UHFFFAOYSA-N
XLogP-0.61
TPSA105.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

3-methyl-N-(1-methylcyclopropyl)-1-(2-methylpropyl)-2,4-dioxoquinazoline-6-sulfonamide
CID 121398247
1-methyl-N-(1-methylcyclopropyl)-3-[(1-methylimidazol-2-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide
CID 121398716
3-[2-(4-hydroxyphenyl)-2-oxoethyl]-1-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide
CID 121398413
1-methyl-N-(1-methylcyclopropyl)-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide
CID 121398699
1-methyl-N-(1-methylcyclopropyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide
CID 121398173
1-methyl-N-(1-methylcyclopropyl)-3-[(5-methyl-3-pyridinyl)methyl]-2,4-dioxoquinazoline-6-sulfonamide
CID 121404626
1-methyl-N-(1-methylcyclopropyl)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide
CID 134169692
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide
CID 121398113
1-methyl-N-(1-methylcyclopropyl)-3-(2-morpholin-4-yl-2-oxoethyl)-2,4-dioxoquinazoline-6-sulfonamide
CID 121398085
1-benzyl-3-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide
CID 121398822
1-methyl-N-(1-methylcyclopropyl)-2,4-dioxo-3-[(1-propan-2-ylpyrazol-4-yl)methyl]quinazoline-6-sulfonamide
CID 121398316
3-ethyl-N-(1-methylcyclopropyl)-1-(2-methylpropyl)-2,4-dioxoquinazoline-6-sulfonamide
CID 121398359

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(1-methylcyclopropyl)-3-[(3-methylimidazolidin-4-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide?
The IUPAC name of 1-methyl-N-(1-methylcyclopropyl)-3-[(3-methylimidazolidin-4-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide (CID 134183410) is 1-methyl-N-(1-methylcyclopropyl)-3-[(3-methylimidazolidin-4-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide.
What is the SMILES notation for 1-methyl-N-(1-methylcyclopropyl)-3-[(3-methylimidazolidin-4-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide?
The canonical SMILES for 1-methyl-N-(1-methylcyclopropyl)-3-[(3-methylimidazolidin-4-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide is CN1CNCC1Cn1c(=O)c2cc(S(=O)(=O)NC3(C)CC3)ccc2n(C)c1=O.
What is the InChIKey of 1-methyl-N-(1-methylcyclopropyl)-3-[(3-methylimidazolidin-4-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide?
The InChIKey is MTUJKCRHJZSXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O4S/c1-18(6-7-18)20-28(26,27)13-4-5-15-14(8-13)16(24)23(17(25)22(15)3)10-12-9-19-11-21(12)2/h4-5,8,12,19-20H,6-7,9-11H2,1-3H3.
What are the key properties of 1-methyl-N-(1-methylcyclopropyl)-3-[(3-methylimidazolidin-4-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide?
1-methyl-N-(1-methylcyclopropyl)-3-[(3-methylimidazolidin-4-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide has a molecular weight of 407.50 g/mol, XLogP of -0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(1-methylcyclopropyl)-3-[(3-methylimidazolidin-4-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide is sourced from PubChem (CID 134183410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).