1,3-dimethyl-2,4-dioxo-N-[(1S,2S)-2-phenylcyclopropyl]quinazoline-6-sulfonamide

C19H19N3O4S — CID 51500253

IUPAC1,3-dimethyl-2,4-dioxo-N-[(1S,2S)-2-phenylcyclopropyl]quinazoline-6-sulfonamide
SMILESCn1c(=O)c2cc(S(=O)(=O)N[C@H]3C[C@H]3c3ccccc3)ccc2n(C)c1=O
InChIInChI=1S/C19H19N3O4S/c1-21-17-9-8-13(10-15(17)18(23)22(2)19(21)24)27(25,26)20-16-11-14(16)12-6-4-3-5-7-12/h3-10,14,16,20H,11H2,1-2H3/t14-,16-/m0/s1
InChIKeyUJZQAUJQPVSINU-HOCLYGCPSA-N
MW385.45 g/mol
LogP1.07
Rot. Bonds4

About 1,3-dimethyl-2,4-dioxo-N-[(1S,2S)-2-phenylcyclopropyl]quinazoline-6-sulfonamide

1,3-dimethyl-2,4-dioxo-N-[(1S,2S)-2-phenylcyclopropyl]quinazoline-6-sulfonamide (PubChem CID 51500253) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is 1,3-dimethyl-2,4-dioxo-N-[(1S,2S)-2-phenylcyclopropyl]quinazoline-6-sulfonamide.

Molecular Properties

Compound Name1,3-dimethyl-2,4-dioxo-N-[(1S,2S)-2-phenylcyclopropyl]quinazoline-6-sulfonamide
PubChem CID51500253
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC Name1,3-dimethyl-2,4-dioxo-N-[(1S,2S)-2-phenylcyclopropyl]quinazoline-6-sulfonamide
SMILESCn1c(=O)c2cc(S(=O)(=O)N[C@H]3C[C@H]3c3ccccc3)ccc2n(C)c1=O
InChIInChI=1S/C19H19N3O4S/c1-21-17-9-8-13(10-15(17)18(23)22(2)19(21)24)27(25,26)20-16-11-14(16)12-6-4-3-5-7-12/h3-10,14,16,20H,11H2,1-2H3/t14-,16-/m0/s1
InChIKeyUJZQAUJQPVSINU-HOCLYGCPSA-N
XLogP1.07
TPSA90.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1,3-dimethyl-2,4-dioxo-N-[(1S,2S)-2-phenylcyclopropyl]quinazoline-6-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2,4-dioxo-N-[(1S,2S)-2-phenylcyclopropyl]quinazoline-6-sulfonamide?
The IUPAC name of 1,3-dimethyl-2,4-dioxo-N-[(1S,2S)-2-phenylcyclopropyl]quinazoline-6-sulfonamide (CID 51500253) is 1,3-dimethyl-2,4-dioxo-N-[(1S,2S)-2-phenylcyclopropyl]quinazoline-6-sulfonamide.
What is the SMILES notation for 1,3-dimethyl-2,4-dioxo-N-[(1S,2S)-2-phenylcyclopropyl]quinazoline-6-sulfonamide?
The canonical SMILES for 1,3-dimethyl-2,4-dioxo-N-[(1S,2S)-2-phenylcyclopropyl]quinazoline-6-sulfonamide is Cn1c(=O)c2cc(S(=O)(=O)N[C@H]3C[C@H]3c3ccccc3)ccc2n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-2,4-dioxo-N-[(1S,2S)-2-phenylcyclopropyl]quinazoline-6-sulfonamide?
The InChIKey is UJZQAUJQPVSINU-HOCLYGCPSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-21-17-9-8-13(10-15(17)18(23)22(2)19(21)24)27(25,26)20-16-11-14(16)12-6-4-3-5-7-12/h3-10,14,16,20H,11H2,1-2H3/t14-,16-/m0/s1.
What are the key properties of 1,3-dimethyl-2,4-dioxo-N-[(1S,2S)-2-phenylcyclopropyl]quinazoline-6-sulfonamide?
1,3-dimethyl-2,4-dioxo-N-[(1S,2S)-2-phenylcyclopropyl]quinazoline-6-sulfonamide has a molecular weight of 385.45 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2,4-dioxo-N-[(1S,2S)-2-phenylcyclopropyl]quinazoline-6-sulfonamide is sourced from PubChem (CID 51500253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).