2-anilino-N-(4-methoxyphenyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide

C24H23N5O2 — CID 16752019

IUPAC2-anilino-N-(4-methoxyphenyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide
SMILESCOc1ccc(NC(=O)c2c(Nc3ccccc3)nn3c4c(cnc23)CCCC4)cc1
InChIInChI=1S/C24H23N5O2/c1-31-19-13-11-18(12-14-19)27-24(30)21-22(26-17-8-3-2-4-9-17)28-29-20-10-6-5-7-16(20)15-25-23(21)29/h2-4,8-9,11-15H,5-7,10H2,1H3,(H,26,28)(H,27,30)
InChIKeyXZNSWMKLRNZRQL-UHFFFAOYSA-N
MW413.48 g/mol
LogP4.61
Rot. Bonds5

About 2-anilino-N-(4-methoxyphenyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide

2-anilino-N-(4-methoxyphenyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide (PubChem CID 16752019) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is 2-anilino-N-(4-methoxyphenyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide.

Molecular Properties

Compound Name2-anilino-N-(4-methoxyphenyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide
PubChem CID16752019
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC Name2-anilino-N-(4-methoxyphenyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide
SMILESCOc1ccc(NC(=O)c2c(Nc3ccccc3)nn3c4c(cnc23)CCCC4)cc1
InChIInChI=1S/C24H23N5O2/c1-31-19-13-11-18(12-14-19)27-24(30)21-22(26-17-8-3-2-4-9-17)28-29-20-10-6-5-7-16(20)15-25-23(21)29/h2-4,8-9,11-15H,5-7,10H2,1H3,(H,26,28)(H,27,30)
InChIKeyXZNSWMKLRNZRQL-UHFFFAOYSA-N
XLogP4.61
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-anilino-N-(4-methoxyphenyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-(4-methoxyphenyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide?
The IUPAC name of 2-anilino-N-(4-methoxyphenyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide (CID 16752019) is 2-anilino-N-(4-methoxyphenyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide.
What is the SMILES notation for 2-anilino-N-(4-methoxyphenyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide?
The canonical SMILES for 2-anilino-N-(4-methoxyphenyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide is COc1ccc(NC(=O)c2c(Nc3ccccc3)nn3c4c(cnc23)CCCC4)cc1.
What is the InChIKey of 2-anilino-N-(4-methoxyphenyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide?
The InChIKey is XZNSWMKLRNZRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-31-19-13-11-18(12-14-19)27-24(30)21-22(26-17-8-3-2-4-9-17)28-29-20-10-6-5-7-16(20)15-25-23(21)29/h2-4,8-9,11-15H,5-7,10H2,1H3,(H,26,28)(H,27,30).
What are the key properties of 2-anilino-N-(4-methoxyphenyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide?
2-anilino-N-(4-methoxyphenyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide has a molecular weight of 413.48 g/mol, XLogP of 4.61, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-(4-methoxyphenyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide is sourced from PubChem (CID 16752019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).