N-(1-methylcyclopropyl)-1-(oxetan-3-ylmethyl)-2,4-dioxoquinazoline-6-sulfonamide;prop-2-enamide

C19H24N4O6S — CID 169187330

IUPACN-(1-methylcyclopropyl)-1-(oxetan-3-ylmethyl)-2,4-dioxoquinazoline-6-sulfonamide;prop-2-enamide
SMILESC=CC(N)=O.CC1(NS(=O)(=O)c2ccc3c(c2)c(=O)[nH]c(=O)n3CC2COC2)CC1
InChIInChI=1S/C16H19N3O5S.C3H5NO/c1-16(4-5-16)18-25(22,23)11-2-3-13-12(6-11)14(20)17-15(21)19(13)7-10-8-24-9-10;1-2-3(4)5/h2-3,6,10,18H,4-5,7-9H2,1H3,(H,17,20,21);2H,1H2,(H2,4,5)
InChIKeyOYDMPFNUOMMLFO-UHFFFAOYSA-N
MW436.49 g/mol
LogP-0.18
Rot. Bonds6

About N-(1-methylcyclopropyl)-1-(oxetan-3-ylmethyl)-2,4-dioxoquinazoline-6-sulfonamide;prop-2-enamide

N-(1-methylcyclopropyl)-1-(oxetan-3-ylmethyl)-2,4-dioxoquinazoline-6-sulfonamide;prop-2-enamide (PubChem CID 169187330) has the molecular formula C19H24N4O6S and a molecular weight of 436.49 g/mol. Its IUPAC name is N-(1-methylcyclopropyl)-1-(oxetan-3-ylmethyl)-2,4-dioxoquinazoline-6-sulfonamide;prop-2-enamide.

Molecular Properties

Compound NameN-(1-methylcyclopropyl)-1-(oxetan-3-ylmethyl)-2,4-dioxoquinazoline-6-sulfonamide;prop-2-enamide
PubChem CID169187330
Molecular FormulaC19H24N4O6S
Molecular Weight436.49 g/mol
Exact Mass436.14
IUPAC NameN-(1-methylcyclopropyl)-1-(oxetan-3-ylmethyl)-2,4-dioxoquinazoline-6-sulfonamide;prop-2-enamide
SMILESC=CC(N)=O.CC1(NS(=O)(=O)c2ccc3c(c2)c(=O)[nH]c(=O)n3CC2COC2)CC1
InChIInChI=1S/C16H19N3O5S.C3H5NO/c1-16(4-5-16)18-25(22,23)11-2-3-13-12(6-11)14(20)17-15(21)19(13)7-10-8-24-9-10;1-2-3(4)5/h2-3,6,10,18H,4-5,7-9H2,1H3,(H,17,20,21);2H,1H2,(H2,4,5)
InChIKeyOYDMPFNUOMMLFO-UHFFFAOYSA-N
XLogP-0.18
TPSA153.35 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-(1-methylcyclopropyl)-1-(oxetan-3-ylmethyl)-2,4-dioxoquinazoline-6-sulfonamide;prop-2-enamide with MolForge

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Related Compounds

N-(1-methylcyclopropyl)-2,4-dioxo-1-(3,3,3-trifluoropropyl)quinazoline-6-sulfonamide
CID 169187288
1-(cyclopropylmethyl)-N-(1-methylcyclopropyl)-2,4-dioxo-3-[(3S)-1-prop-2-enoylpyrrolidin-3-yl]quinazoline-6-sulfonamide
CID 169187479
N-[6-[(1-methylcyclopropyl)sulfamoyl]-2,4-dioxo-1-prop-2-ynylquinazolin-3-yl]prop-2-enamide
CID 170223828
methyl (E)-4-[[1-(cyclopropylmethyl)-6-[(1-methylcyclopropyl)sulfamoyl]-2,4-dioxoquinazolin-3-yl]amino]-4-oxobut-2-enoate
CID 169187123
1-(cyclopropylmethyl)-3-[2-(methylamino)ethyl]-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide
CID 169187408
1-benzyl-3-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide
CID 121398822
1-benzyl-3-ethyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide
CID 121398750
1-(azetidin-3-ylmethyl)-N-(1-methylcyclopropyl)-3-[(3-methyl-1,2-oxazol-5-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide
CID 121398425
2-methyl-N-[1-[(1-methylcyclopropyl)methyl]-6-[(1-methylcyclopropyl)sulfamoyl]-2,4-dioxoquinazolin-3-yl]prop-2-enamide
CID 169187303
1-(cyclopropylmethyl)-N-(1-methylcyclopropyl)-3-[3-methyl-1-(2-methylprop-2-enoyl)piperidin-4-yl]-2,4-dioxoquinazoline-6-sulfonamide
CID 169187451
3-methyl-N-(1-methylcyclopropyl)-1-(2-methylpropyl)-2,4-dioxoquinazoline-6-sulfonamide
CID 121398247
1-[(3,3-dimethylcyclobutyl)methyl]-N-(1-methylcyclopropyl)-3-[(3-methyl-1,2-oxazol-5-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide
CID 121398868

Frequently Asked Questions

What is the IUPAC name of N-(1-methylcyclopropyl)-1-(oxetan-3-ylmethyl)-2,4-dioxoquinazoline-6-sulfonamide;prop-2-enamide?
The IUPAC name of N-(1-methylcyclopropyl)-1-(oxetan-3-ylmethyl)-2,4-dioxoquinazoline-6-sulfonamide;prop-2-enamide (CID 169187330) is N-(1-methylcyclopropyl)-1-(oxetan-3-ylmethyl)-2,4-dioxoquinazoline-6-sulfonamide;prop-2-enamide.
What is the SMILES notation for N-(1-methylcyclopropyl)-1-(oxetan-3-ylmethyl)-2,4-dioxoquinazoline-6-sulfonamide;prop-2-enamide?
The canonical SMILES for N-(1-methylcyclopropyl)-1-(oxetan-3-ylmethyl)-2,4-dioxoquinazoline-6-sulfonamide;prop-2-enamide is C=CC(N)=O.CC1(NS(=O)(=O)c2ccc3c(c2)c(=O)[nH]c(=O)n3CC2COC2)CC1.
What is the InChIKey of N-(1-methylcyclopropyl)-1-(oxetan-3-ylmethyl)-2,4-dioxoquinazoline-6-sulfonamide;prop-2-enamide?
The InChIKey is OYDMPFNUOMMLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O5S.C3H5NO/c1-16(4-5-16)18-25(22,23)11-2-3-13-12(6-11)14(20)17-15(21)19(13)7-10-8-24-9-10;1-2-3(4)5/h2-3,6,10,18H,4-5,7-9H2,1H3,(H,17,20,21);2H,1H2,(H2,4,5).
What are the key properties of N-(1-methylcyclopropyl)-1-(oxetan-3-ylmethyl)-2,4-dioxoquinazoline-6-sulfonamide;prop-2-enamide?
N-(1-methylcyclopropyl)-1-(oxetan-3-ylmethyl)-2,4-dioxoquinazoline-6-sulfonamide;prop-2-enamide has a molecular weight of 436.49 g/mol, XLogP of -0.18, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylcyclopropyl)-1-(oxetan-3-ylmethyl)-2,4-dioxoquinazoline-6-sulfonamide;prop-2-enamide is sourced from PubChem (CID 169187330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).