N-(3-chlorophenyl)-2,9-dioxo-1,4-dihydropyrazolo[5,1-b]quinazoline-3-carboxamide

C17H11ClN4O3 — CID 91283326

IUPACN-(3-chlorophenyl)-2,9-dioxo-1,4-dihydropyrazolo[5,1-b]quinazoline-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1c(=O)[nH]n2c(=O)c3ccccc3[nH]c12
InChIInChI=1S/C17H11ClN4O3/c18-9-4-3-5-10(8-9)19-15(23)13-14-20-12-7-2-1-6-11(12)17(25)22(14)21-16(13)24/h1-8,20H,(H,19,23)(H,21,24)
InChIKeyJOFCVXFVRZFWLC-UHFFFAOYSA-N
MW354.75 g/mol
LogP2.37
Rot. Bonds2

About N-(3-chlorophenyl)-2,9-dioxo-1,4-dihydropyrazolo[5,1-b]quinazoline-3-carboxamide

N-(3-chlorophenyl)-2,9-dioxo-1,4-dihydropyrazolo[5,1-b]quinazoline-3-carboxamide (PubChem CID 91283326) has the molecular formula C17H11ClN4O3 and a molecular weight of 354.75 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2,9-dioxo-1,4-dihydropyrazolo[5,1-b]quinazoline-3-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2,9-dioxo-1,4-dihydropyrazolo[5,1-b]quinazoline-3-carboxamide
PubChem CID91283326
Molecular FormulaC17H11ClN4O3
Molecular Weight354.75 g/mol
Exact Mass354.05
IUPAC NameN-(3-chlorophenyl)-2,9-dioxo-1,4-dihydropyrazolo[5,1-b]quinazoline-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1c(=O)[nH]n2c(=O)c3ccccc3[nH]c12
InChIInChI=1S/C17H11ClN4O3/c18-9-4-3-5-10(8-9)19-15(23)13-14-20-12-7-2-1-6-11(12)17(25)22(14)21-16(13)24/h1-8,20H,(H,19,23)(H,21,24)
InChIKeyJOFCVXFVRZFWLC-UHFFFAOYSA-N
XLogP2.37
TPSA99.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.75
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2,9-dioxo-1,4-dihydropyrazolo[5,1-b]quinazoline-3-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-2,9-dioxo-1,4-dihydropyrazolo[5,1-b]quinazoline-3-carboxamide (CID 91283326) is N-(3-chlorophenyl)-2,9-dioxo-1,4-dihydropyrazolo[5,1-b]quinazoline-3-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-2,9-dioxo-1,4-dihydropyrazolo[5,1-b]quinazoline-3-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-2,9-dioxo-1,4-dihydropyrazolo[5,1-b]quinazoline-3-carboxamide is O=C(Nc1cccc(Cl)c1)c1c(=O)[nH]n2c(=O)c3ccccc3[nH]c12.
What is the InChIKey of N-(3-chlorophenyl)-2,9-dioxo-1,4-dihydropyrazolo[5,1-b]quinazoline-3-carboxamide?
The InChIKey is JOFCVXFVRZFWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN4O3/c18-9-4-3-5-10(8-9)19-15(23)13-14-20-12-7-2-1-6-11(12)17(25)22(14)21-16(13)24/h1-8,20H,(H,19,23)(H,21,24).
What are the key properties of N-(3-chlorophenyl)-2,9-dioxo-1,4-dihydropyrazolo[5,1-b]quinazoline-3-carboxamide?
N-(3-chlorophenyl)-2,9-dioxo-1,4-dihydropyrazolo[5,1-b]quinazoline-3-carboxamide has a molecular weight of 354.75 g/mol, XLogP of 2.37, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2,9-dioxo-1,4-dihydropyrazolo[5,1-b]quinazoline-3-carboxamide is sourced from PubChem (CID 91283326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).