N-cyclopropyl-8,8-dimethyl-6-oxo-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide

C16H18N4O2 — CID 22587293

IUPACN-cyclopropyl-8,8-dimethyl-6-oxo-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide
SMILESCC1(C)CC(=O)c2cnc3c(C(=O)NC4CC4)cnn3c2C1
InChIInChI=1S/C16H18N4O2/c1-16(2)5-12-10(13(21)6-16)7-17-14-11(8-18-20(12)14)15(22)19-9-3-4-9/h7-9H,3-6H2,1-2H3,(H,19,22)
InChIKeyDONZSIOHUSPSOA-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.78
Rot. Bonds2

About N-cyclopropyl-8,8-dimethyl-6-oxo-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide

N-cyclopropyl-8,8-dimethyl-6-oxo-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide (PubChem CID 22587293) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is N-cyclopropyl-8,8-dimethyl-6-oxo-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-8,8-dimethyl-6-oxo-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide
PubChem CID22587293
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC NameN-cyclopropyl-8,8-dimethyl-6-oxo-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide
SMILESCC1(C)CC(=O)c2cnc3c(C(=O)NC4CC4)cnn3c2C1
InChIInChI=1S/C16H18N4O2/c1-16(2)5-12-10(13(21)6-16)7-17-14-11(8-18-20(12)14)15(22)19-9-3-4-9/h7-9H,3-6H2,1-2H3,(H,19,22)
InChIKeyDONZSIOHUSPSOA-UHFFFAOYSA-N
XLogP1.78
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-8,8-dimethyl-6-oxo-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide?
The IUPAC name of N-cyclopropyl-8,8-dimethyl-6-oxo-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide (CID 22587293) is N-cyclopropyl-8,8-dimethyl-6-oxo-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-8,8-dimethyl-6-oxo-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide?
The canonical SMILES for N-cyclopropyl-8,8-dimethyl-6-oxo-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide is CC1(C)CC(=O)c2cnc3c(C(=O)NC4CC4)cnn3c2C1.
What is the InChIKey of N-cyclopropyl-8,8-dimethyl-6-oxo-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide?
The InChIKey is DONZSIOHUSPSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-16(2)5-12-10(13(21)6-16)7-17-14-11(8-18-20(12)14)15(22)19-9-3-4-9/h7-9H,3-6H2,1-2H3,(H,19,22).
What are the key properties of N-cyclopropyl-8,8-dimethyl-6-oxo-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide?
N-cyclopropyl-8,8-dimethyl-6-oxo-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide has a molecular weight of 298.35 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-8,8-dimethyl-6-oxo-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide is sourced from PubChem (CID 22587293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).