2,4-dioxo-N-(1-phenylcyclopentyl)-1H-quinazoline-6-sulfonamide

C19H19N3O4S — CID 46966742

IUPAC2,4-dioxo-N-(1-phenylcyclopentyl)-1H-quinazoline-6-sulfonamide
SMILESO=c1[nH]c(=O)c2cc(S(=O)(=O)NC3(c4ccccc4)CCCC3)ccc2[nH]1
InChIInChI=1S/C19H19N3O4S/c23-17-15-12-14(8-9-16(15)20-18(24)21-17)27(25,26)22-19(10-4-5-11-19)13-6-2-1-3-7-13/h1-3,6-9,12,22H,4-5,10-11H2,(H2,20,21,23,24)
InChIKeyRTJOUBAPQBOADH-UHFFFAOYSA-N
MW385.45 g/mol
LogP1.96
Rot. Bonds4

About 2,4-dioxo-N-(1-phenylcyclopentyl)-1H-quinazoline-6-sulfonamide

2,4-dioxo-N-(1-phenylcyclopentyl)-1H-quinazoline-6-sulfonamide (PubChem CID 46966742) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is 2,4-dioxo-N-(1-phenylcyclopentyl)-1H-quinazoline-6-sulfonamide.

Molecular Properties

Compound Name2,4-dioxo-N-(1-phenylcyclopentyl)-1H-quinazoline-6-sulfonamide
PubChem CID46966742
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC Name2,4-dioxo-N-(1-phenylcyclopentyl)-1H-quinazoline-6-sulfonamide
SMILESO=c1[nH]c(=O)c2cc(S(=O)(=O)NC3(c4ccccc4)CCCC3)ccc2[nH]1
InChIInChI=1S/C19H19N3O4S/c23-17-15-12-14(8-9-16(15)20-18(24)21-17)27(25,26)22-19(10-4-5-11-19)13-6-2-1-3-7-13/h1-3,6-9,12,22H,4-5,10-11H2,(H2,20,21,23,24)
InChIKeyRTJOUBAPQBOADH-UHFFFAOYSA-N
XLogP1.96
TPSA111.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-N-(1-phenylcyclopentyl)-1H-quinazoline-6-sulfonamide?
The IUPAC name of 2,4-dioxo-N-(1-phenylcyclopentyl)-1H-quinazoline-6-sulfonamide (CID 46966742) is 2,4-dioxo-N-(1-phenylcyclopentyl)-1H-quinazoline-6-sulfonamide.
What is the SMILES notation for 2,4-dioxo-N-(1-phenylcyclopentyl)-1H-quinazoline-6-sulfonamide?
The canonical SMILES for 2,4-dioxo-N-(1-phenylcyclopentyl)-1H-quinazoline-6-sulfonamide is O=c1[nH]c(=O)c2cc(S(=O)(=O)NC3(c4ccccc4)CCCC3)ccc2[nH]1.
What is the InChIKey of 2,4-dioxo-N-(1-phenylcyclopentyl)-1H-quinazoline-6-sulfonamide?
The InChIKey is RTJOUBAPQBOADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c23-17-15-12-14(8-9-16(15)20-18(24)21-17)27(25,26)22-19(10-4-5-11-19)13-6-2-1-3-7-13/h1-3,6-9,12,22H,4-5,10-11H2,(H2,20,21,23,24).
What are the key properties of 2,4-dioxo-N-(1-phenylcyclopentyl)-1H-quinazoline-6-sulfonamide?
2,4-dioxo-N-(1-phenylcyclopentyl)-1H-quinazoline-6-sulfonamide has a molecular weight of 385.45 g/mol, XLogP of 1.96, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-N-(1-phenylcyclopentyl)-1H-quinazoline-6-sulfonamide is sourced from PubChem (CID 46966742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).