1-(3-aminopropyl)-8-anilino-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide

C19H21N7O — CID 46911770

IUPAC1-(3-aminopropyl)-8-anilino-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
SMILESNCCCn1nc(C(N)=O)c2c1-c1nc(Nc3ccccc3)ncc1CC2
InChIInChI=1S/C19H21N7O/c20-9-4-10-26-17-14(16(25-26)18(21)27)8-7-12-11-22-19(24-15(12)17)23-13-5-2-1-3-6-13/h1-3,5-6,11H,4,7-10,20H2,(H2,21,27)(H,22,23,24)
InChIKeyOXICUMLYVMEXBW-UHFFFAOYSA-N
MW363.43 g/mol
LogP1.63
Rot. Bonds6

About 1-(3-aminopropyl)-8-anilino-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide

1-(3-aminopropyl)-8-anilino-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide (PubChem CID 46911770) has the molecular formula C19H21N7O and a molecular weight of 363.43 g/mol. Its IUPAC name is 1-(3-aminopropyl)-8-anilino-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide.

Molecular Properties

Compound Name1-(3-aminopropyl)-8-anilino-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
PubChem CID46911770
Molecular FormulaC19H21N7O
Molecular Weight363.43 g/mol
Exact Mass363.18
IUPAC Name1-(3-aminopropyl)-8-anilino-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
SMILESNCCCn1nc(C(N)=O)c2c1-c1nc(Nc3ccccc3)ncc1CC2
InChIInChI=1S/C19H21N7O/c20-9-4-10-26-17-14(16(25-26)18(21)27)8-7-12-11-22-19(24-15(12)17)23-13-5-2-1-3-6-13/h1-3,5-6,11H,4,7-10,20H2,(H2,21,27)(H,22,23,24)
InChIKeyOXICUMLYVMEXBW-UHFFFAOYSA-N
XLogP1.63
TPSA124.74 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N,1,4,4-Tetramethyl-8-((4-(4-methylpiperazin-1-yl)phenyl)amino)-4,5-dihydro-1H-pyrazolo(4,3-h)quinazoline-3-carboxamide
CID 16718576
N,4-dimethyl-3-({1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}amino)benzamide
CID 23400214
1-methyl-8-(phenylamino)-4,5-dihydro-1H-pyrazolo(4,3-h)quinazoline-3-carboxylic acid
CID 44129603
Pyrazolo[4,3-h]quinazoline-3-carboxamide, 22
CID 44235885
Pyrazolo[4,3-h]quinazoline-3-carboxamide, 24
CID 44235886
2-benzyl-2H-pyrazolo[3,4-c]quinolin-4(5H)-one
CID 10636110
Pyrazolo[4,3-h]quinazoline-3-carboxamide, 20
CID 11486283
Pyrazolo[4,3-h]quinazoline-3-carboxamide, 23
CID 44232694
Pyrazolo[4,3-h]quinazoline-3-carboxamide, 25
CID 44232695
Pyrazolo[4,3-h]quinazoline-3-carboxamide, 27
CID 44235888
Pyrazolo[4,3-h]quinazoline-3-carboxamide, 35
CID 44236110
Pyrazolo[4,3-h]quinazoline-3-carboxamide, 16
CID 44236353

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-8-anilino-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
The IUPAC name of 1-(3-aminopropyl)-8-anilino-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide (CID 46911770) is 1-(3-aminopropyl)-8-anilino-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide.
What is the SMILES notation for 1-(3-aminopropyl)-8-anilino-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
The canonical SMILES for 1-(3-aminopropyl)-8-anilino-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide is NCCCn1nc(C(N)=O)c2c1-c1nc(Nc3ccccc3)ncc1CC2.
What is the InChIKey of 1-(3-aminopropyl)-8-anilino-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
The InChIKey is OXICUMLYVMEXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O/c20-9-4-10-26-17-14(16(25-26)18(21)27)8-7-12-11-22-19(24-15(12)17)23-13-5-2-1-3-6-13/h1-3,5-6,11H,4,7-10,20H2,(H2,21,27)(H,22,23,24).
What are the key properties of 1-(3-aminopropyl)-8-anilino-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
1-(3-aminopropyl)-8-anilino-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide has a molecular weight of 363.43 g/mol, XLogP of 1.63, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-8-anilino-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide is sourced from PubChem (CID 46911770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).