N-(4-piperazin-1-ylphenyl)-9-propan-2-yl-7H-pyrrolo[3,4-h]quinazolin-2-amine

C23H26N6 — CID 167674771

IUPACN-(4-piperazin-1-ylphenyl)-9-propan-2-yl-7H-pyrrolo[3,4-h]quinazolin-2-amine
SMILESCC(C)C1=NCc2ccc3cnc(Nc4ccc(N5CCNCC5)cc4)nc3c21
InChIInChI=1S/C23H26N6/c1-15(2)21-20-16(13-25-21)3-4-17-14-26-23(28-22(17)20)27-18-5-7-19(8-6-18)29-11-9-24-10-12-29/h3-8,14-15,24H,9-13H2,1-2H3,(H,26,27,28)
InChIKeyQDWHARWSIHARTQ-UHFFFAOYSA-N
MW386.50 g/mol
LogP3.74
Rot. Bonds4

About N-(4-piperazin-1-ylphenyl)-9-propan-2-yl-7H-pyrrolo[3,4-h]quinazolin-2-amine

N-(4-piperazin-1-ylphenyl)-9-propan-2-yl-7H-pyrrolo[3,4-h]quinazolin-2-amine (PubChem CID 167674771) has the molecular formula C23H26N6 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-(4-piperazin-1-ylphenyl)-9-propan-2-yl-7H-pyrrolo[3,4-h]quinazolin-2-amine.

Molecular Properties

Compound NameN-(4-piperazin-1-ylphenyl)-9-propan-2-yl-7H-pyrrolo[3,4-h]quinazolin-2-amine
PubChem CID167674771
Molecular FormulaC23H26N6
Molecular Weight386.50 g/mol
Exact Mass386.22
IUPAC NameN-(4-piperazin-1-ylphenyl)-9-propan-2-yl-7H-pyrrolo[3,4-h]quinazolin-2-amine
SMILESCC(C)C1=NCc2ccc3cnc(Nc4ccc(N5CCNCC5)cc4)nc3c21
InChIInChI=1S/C23H26N6/c1-15(2)21-20-16(13-25-21)3-4-17-14-26-23(28-22(17)20)27-18-5-7-19(8-6-18)29-11-9-24-10-12-29/h3-8,14-15,24H,9-13H2,1-2H3,(H,26,27,28)
InChIKeyQDWHARWSIHARTQ-UHFFFAOYSA-N
XLogP3.74
TPSA65.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-(4-piperazin-1-ylphenyl)-9-propan-2-yl-7H-pyrrolo[3,4-h]quinazolin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

8-[5-(1-morpholin-2-ylethoxy)-2-pyridinyl]-N-(4-piperazin-1-ylphenyl)quinazolin-2-amine
CID 175011381
N-(4-piperazin-1-ylphenyl)pyrimidin-2-amine
CID 82513989
3-methyl-2,2-dioxo-N-(4-piperazin-1-ylphenyl)-1-propan-2-ylpyrimido[4,5-c]thiazin-7-amine
CID 10237895
4-methyl-N-[2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-yl]piperazine-1-carboxamide
CID 10204086
7-(4-piperazin-1-ylanilino)-3-propan-2-yl-2H-pyrimido[5,4-e][1,3]oxazin-4-one
CID 138530946
6-(3-methylbutyl)-7-pentan-3-yl-N-(4-piperazin-1-ylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine
CID 161342534
1-[(4-methoxyphenyl)methyl]-N-(4-piperazin-1-ylphenyl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 67003357
1-cyclohexyl-N-(4-piperazin-1-ylphenyl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 59686636
9-chloro-7-(2-fluorophenyl)-N-(4-piperazin-1-ylphenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-amine
CID 163635788
N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 68702089
8-methyl-2-(4-piperazin-1-ylanilino)-6,7-dihydropyrimido[4,5-d]pyrimidin-5-one
CID 142733067
8-(2-adamantyl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 151718666

Frequently Asked Questions

What is the IUPAC name of N-(4-piperazin-1-ylphenyl)-9-propan-2-yl-7H-pyrrolo[3,4-h]quinazolin-2-amine?
The IUPAC name of N-(4-piperazin-1-ylphenyl)-9-propan-2-yl-7H-pyrrolo[3,4-h]quinazolin-2-amine (CID 167674771) is N-(4-piperazin-1-ylphenyl)-9-propan-2-yl-7H-pyrrolo[3,4-h]quinazolin-2-amine.
What is the SMILES notation for N-(4-piperazin-1-ylphenyl)-9-propan-2-yl-7H-pyrrolo[3,4-h]quinazolin-2-amine?
The canonical SMILES for N-(4-piperazin-1-ylphenyl)-9-propan-2-yl-7H-pyrrolo[3,4-h]quinazolin-2-amine is CC(C)C1=NCc2ccc3cnc(Nc4ccc(N5CCNCC5)cc4)nc3c21.
What is the InChIKey of N-(4-piperazin-1-ylphenyl)-9-propan-2-yl-7H-pyrrolo[3,4-h]quinazolin-2-amine?
The InChIKey is QDWHARWSIHARTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6/c1-15(2)21-20-16(13-25-21)3-4-17-14-26-23(28-22(17)20)27-18-5-7-19(8-6-18)29-11-9-24-10-12-29/h3-8,14-15,24H,9-13H2,1-2H3,(H,26,27,28).
What are the key properties of N-(4-piperazin-1-ylphenyl)-9-propan-2-yl-7H-pyrrolo[3,4-h]quinazolin-2-amine?
N-(4-piperazin-1-ylphenyl)-9-propan-2-yl-7H-pyrrolo[3,4-h]quinazolin-2-amine has a molecular weight of 386.50 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-piperazin-1-ylphenyl)-9-propan-2-yl-7H-pyrrolo[3,4-h]quinazolin-2-amine is sourced from PubChem (CID 167674771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).