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

C18H24N4O3 — CID 53097644

IUPACN-(3-ethoxypropyl)-8,8-dimethyl-6-oxo-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide
SMILESCCOCCCNC(=O)c1cnn2c3c(cnc12)C(=O)CC(C)(C)C3
InChIInChI=1S/C18H24N4O3/c1-4-25-7-5-6-19-17(24)13-11-21-22-14-8-18(2,3)9-15(23)12(14)10-20-16(13)22/h10-11H,4-9H2,1-3H3,(H,19,24)
InChIKeySPVAWAZAEWMHRG-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.04
Rot. Bonds6

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

N-(3-ethoxypropyl)-8,8-dimethyl-6-oxo-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide (PubChem CID 53097644) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-8,8-dimethyl-6-oxo-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-8,8-dimethyl-6-oxo-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide
PubChem CID53097644
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC NameN-(3-ethoxypropyl)-8,8-dimethyl-6-oxo-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide
SMILESCCOCCCNC(=O)c1cnn2c3c(cnc12)C(=O)CC(C)(C)C3
InChIInChI=1S/C18H24N4O3/c1-4-25-7-5-6-19-17(24)13-11-21-22-14-8-18(2,3)9-15(23)12(14)10-20-16(13)22/h10-11H,4-9H2,1-3H3,(H,19,24)
InChIKeySPVAWAZAEWMHRG-UHFFFAOYSA-N
XLogP2.04
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-8,8-dimethyl-6-oxo-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide?
The IUPAC name of N-(3-ethoxypropyl)-8,8-dimethyl-6-oxo-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide (CID 53097644) is N-(3-ethoxypropyl)-8,8-dimethyl-6-oxo-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide.
What is the SMILES notation for N-(3-ethoxypropyl)-8,8-dimethyl-6-oxo-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide?
The canonical SMILES for N-(3-ethoxypropyl)-8,8-dimethyl-6-oxo-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide is CCOCCCNC(=O)c1cnn2c3c(cnc12)C(=O)CC(C)(C)C3.
What is the InChIKey of N-(3-ethoxypropyl)-8,8-dimethyl-6-oxo-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide?
The InChIKey is SPVAWAZAEWMHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-4-25-7-5-6-19-17(24)13-11-21-22-14-8-18(2,3)9-15(23)12(14)10-20-16(13)22/h10-11H,4-9H2,1-3H3,(H,19,24).
What are the key properties of N-(3-ethoxypropyl)-8,8-dimethyl-6-oxo-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide?
N-(3-ethoxypropyl)-8,8-dimethyl-6-oxo-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-8,8-dimethyl-6-oxo-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide is sourced from PubChem (CID 53097644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).