1,3-dimethyl-N-(1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl)-2,4-dioxoquinazoline-6-sulfonamide

C23H26N4O6S — CID 20865863

IUPAC1,3-dimethyl-N-(1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl)-2,4-dioxoquinazoline-6-sulfonamide
SMILESCn1c(=O)c2cc(S(=O)(=O)NC(Cc3ccccc3)C(=O)N3CCOCC3)ccc2n(C)c1=O
InChIInChI=1S/C23H26N4O6S/c1-25-20-9-8-17(15-18(20)21(28)26(2)23(25)30)34(31,32)24-19(14-16-6-4-3-5-7-16)22(29)27-10-12-33-13-11-27/h3-9,15,19,24H,10-14H2,1-2H3
InChIKeyRGUQLKAHXJKTGL-UHFFFAOYSA-N
MW486.55 g/mol
LogP-0.01
Rot. Bonds6

About 1,3-dimethyl-N-(1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl)-2,4-dioxoquinazoline-6-sulfonamide

1,3-dimethyl-N-(1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl)-2,4-dioxoquinazoline-6-sulfonamide (PubChem CID 20865863) has the molecular formula C23H26N4O6S and a molecular weight of 486.55 g/mol. Its IUPAC name is 1,3-dimethyl-N-(1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl)-2,4-dioxoquinazoline-6-sulfonamide.

Molecular Properties

Compound Name1,3-dimethyl-N-(1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl)-2,4-dioxoquinazoline-6-sulfonamide
PubChem CID20865863
Molecular FormulaC23H26N4O6S
Molecular Weight486.55 g/mol
Exact Mass486.16
IUPAC Name1,3-dimethyl-N-(1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl)-2,4-dioxoquinazoline-6-sulfonamide
SMILESCn1c(=O)c2cc(S(=O)(=O)NC(Cc3ccccc3)C(=O)N3CCOCC3)ccc2n(C)c1=O
InChIInChI=1S/C23H26N4O6S/c1-25-20-9-8-17(15-18(20)21(28)26(2)23(25)30)34(31,32)24-19(14-16-6-4-3-5-7-16)22(29)27-10-12-33-13-11-27/h3-9,15,19,24H,10-14H2,1-2H3
InChIKeyRGUQLKAHXJKTGL-UHFFFAOYSA-N
XLogP-0.01
TPSA119.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.55
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1,3-dimethyl-N-(1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl)-2,4-dioxoquinazoline-6-sulfonamide with MolForge

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Related Compounds

4-methyl-N-[1-[16-[2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-1-oxo-3-phenylpropan-2-yl]benzenesulfonamide
CID 4263217
2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-3-phenyl-N-(thiophen-2-ylmethyl)propanamide
CID 20865859
2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-(3-fluorophenyl)-3-phenylpropanamide
CID 20865843
2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-2-phenyl-N-(2-phenylethyl)acetamide
CID 20865889
2,4,6-trimethyl-N-[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]benzenesulfonamide
CID 30142954
N-[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]propane-1-sulfonamide
CID 110347269
(2R)-2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]propanoic acid
CID 51983971
2,6-dichloro-N-[(2R)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]benzenesulfonamide
CID 34320418
2,5-dichloro-N-[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]benzenesulfonamide
CID 30142856
ethyl 1-[(2S)-2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]-3-phenylpropanoyl]piperidine-4-carboxylate
CID 92665468
(2S)-2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-2-phenyl-N-(4-propan-2-ylphenyl)acetamide
CID 92665671
N-[1-oxo-3-phenyl-1-(4-phenylpiperazin-1-yl)propan-2-yl]benzenesulfonamide
CID 43888849

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl)-2,4-dioxoquinazoline-6-sulfonamide?
The IUPAC name of 1,3-dimethyl-N-(1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl)-2,4-dioxoquinazoline-6-sulfonamide (CID 20865863) is 1,3-dimethyl-N-(1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl)-2,4-dioxoquinazoline-6-sulfonamide.
What is the SMILES notation for 1,3-dimethyl-N-(1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl)-2,4-dioxoquinazoline-6-sulfonamide?
The canonical SMILES for 1,3-dimethyl-N-(1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl)-2,4-dioxoquinazoline-6-sulfonamide is Cn1c(=O)c2cc(S(=O)(=O)NC(Cc3ccccc3)C(=O)N3CCOCC3)ccc2n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-N-(1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl)-2,4-dioxoquinazoline-6-sulfonamide?
The InChIKey is RGUQLKAHXJKTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O6S/c1-25-20-9-8-17(15-18(20)21(28)26(2)23(25)30)34(31,32)24-19(14-16-6-4-3-5-7-16)22(29)27-10-12-33-13-11-27/h3-9,15,19,24H,10-14H2,1-2H3.
What are the key properties of 1,3-dimethyl-N-(1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl)-2,4-dioxoquinazoline-6-sulfonamide?
1,3-dimethyl-N-(1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl)-2,4-dioxoquinazoline-6-sulfonamide has a molecular weight of 486.55 g/mol, XLogP of -0.01, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl)-2,4-dioxoquinazoline-6-sulfonamide is sourced from PubChem (CID 20865863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).