8,8-dimethyl-6-oxo-N-(4-phenylbutan-2-yl)-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide

C23H26N4O2 — CID 53097649

IUPAC8,8-dimethyl-6-oxo-N-(4-phenylbutan-2-yl)-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide
SMILESCC(CCc1ccccc1)NC(=O)c1cnn2c3c(cnc12)C(=O)CC(C)(C)C3
InChIInChI=1S/C23H26N4O2/c1-15(9-10-16-7-5-4-6-8-16)26-22(29)18-14-25-27-19-11-23(2,3)12-20(28)17(19)13-24-21(18)27/h4-8,13-15H,9-12H2,1-3H3,(H,26,29)
InChIKeyHPQWDXOMSMEPJS-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.64
Rot. Bonds5

About 8,8-dimethyl-6-oxo-N-(4-phenylbutan-2-yl)-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide

8,8-dimethyl-6-oxo-N-(4-phenylbutan-2-yl)-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide (PubChem CID 53097649) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 8,8-dimethyl-6-oxo-N-(4-phenylbutan-2-yl)-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide.

Molecular Properties

Compound Name8,8-dimethyl-6-oxo-N-(4-phenylbutan-2-yl)-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide
PubChem CID53097649
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name8,8-dimethyl-6-oxo-N-(4-phenylbutan-2-yl)-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide
SMILESCC(CCc1ccccc1)NC(=O)c1cnn2c3c(cnc12)C(=O)CC(C)(C)C3
InChIInChI=1S/C23H26N4O2/c1-15(9-10-16-7-5-4-6-8-16)26-22(29)18-14-25-27-19-11-23(2,3)12-20(28)17(19)13-24-21(18)27/h4-8,13-15H,9-12H2,1-3H3,(H,26,29)
InChIKeyHPQWDXOMSMEPJS-UHFFFAOYSA-N
XLogP3.64
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8,8-dimethyl-6-oxo-N-(4-phenylbutan-2-yl)-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide with MolForge

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Related Compounds

N-(3-ethoxypropyl)-8,8-dimethyl-6-oxo-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide
CID 53097644
2-methyl-8-oxo-N-[(2S)-4-phenylbutan-2-yl]-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3,5-triene-4-carboxamide
CID 95074463
2-methyl-8-oxo-N-(4-phenylbutan-2-yl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3,5-triene-4-carboxamide
CID 53088354
1-methyl-2-oxo-N-(4-phenylbutan-2-yl)-1,8-naphthyridine-3-carboxamide
CID 43995808
3-oxo-N-(4-phenylbutan-2-yl)-8-thia-2,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),4,6-triene-4-carboxamide
CID 53029332
4-methyl-N-(4-phenylbutan-2-yl)-2-propan-2-ylpyrimidine-5-carboxamide
CID 53034177
3-methyl-5-oxo-N-[(2R)-4-phenylbutan-2-yl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 51564201
2,3-dimethyl-5-oxo-N-(4-phenylbutan-2-yl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 17248437
5-(methylamino)-N-(4-phenylbutan-2-yl)pyrazine-2-carboxamide
CID 107375133
1-ethyl-2-oxo-N-[(2R)-4-phenylbutan-2-yl]-1,8-naphthyridine-3-carboxamide
CID 7619828
1-benzyl-2-oxo-N-[(2R)-4-phenylbutan-2-yl]-1,8-naphthyridine-3-carboxamide
CID 7620195
2-methyl-1,3-dioxo-N-(4-phenylbutan-2-yl)isoindole-5-carboxamide
CID 51157933

Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-6-oxo-N-(4-phenylbutan-2-yl)-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide?
The IUPAC name of 8,8-dimethyl-6-oxo-N-(4-phenylbutan-2-yl)-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide (CID 53097649) is 8,8-dimethyl-6-oxo-N-(4-phenylbutan-2-yl)-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide.
What is the SMILES notation for 8,8-dimethyl-6-oxo-N-(4-phenylbutan-2-yl)-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide?
The canonical SMILES for 8,8-dimethyl-6-oxo-N-(4-phenylbutan-2-yl)-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide is CC(CCc1ccccc1)NC(=O)c1cnn2c3c(cnc12)C(=O)CC(C)(C)C3.
What is the InChIKey of 8,8-dimethyl-6-oxo-N-(4-phenylbutan-2-yl)-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide?
The InChIKey is HPQWDXOMSMEPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-15(9-10-16-7-5-4-6-8-16)26-22(29)18-14-25-27-19-11-23(2,3)12-20(28)17(19)13-24-21(18)27/h4-8,13-15H,9-12H2,1-3H3,(H,26,29).
What are the key properties of 8,8-dimethyl-6-oxo-N-(4-phenylbutan-2-yl)-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide?
8,8-dimethyl-6-oxo-N-(4-phenylbutan-2-yl)-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-6-oxo-N-(4-phenylbutan-2-yl)-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide is sourced from PubChem (CID 53097649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).