1-[4-(1-methyl-8-phenyl-4,5-dihydropyrazolo[5,4-f]quinolin-7-yl)phenyl]cyclobutan-1-amine;1-[4-(2-methyl-8-phenyl-4,5-dihydropyrazolo[3,4-f]quinolin-7-yl)phenyl]cyclobutan-1-amine

C54H52N8 — CID 160643577

IUPAC1-[4-(1-methyl-8-phenyl-4,5-dihydropyrazolo[5,4-f]quinolin-7-yl)phenyl]cyclobutan-1-amine;1-[4-(2-methyl-8-phenyl-4,5-dihydropyrazolo[3,4-f]quinolin-7-yl)phenyl]cyclobutan-1-amine
SMILESCn1cc2c(n1)-c1cc(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc1CC2.Cn1ncc2c1-c1cc(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc1CC2
InChIInChI=1S/2C27H26N4/c1-31-17-20-10-13-24-23(26(20)30-31)16-22(18-6-3-2-4-7-18)25(29-24)19-8-11-21(12-9-19)27(28)14-5-15-27;1-31-26-20(17-29-31)10-13-24-23(26)16-22(18-6-3-2-4-7-18)25(30-24)19-8-11-21(12-9-19)27(28)14-5-15-27/h2*2-4,6-9,11-12,16-17H,5,10,13-15,28H2,1H3
InChIKeyRJMOOKQFEZAOSO-UHFFFAOYSA-N
MW813.07 g/mol
LogP10.51
Rot. Bonds6

About 1-[4-(1-methyl-8-phenyl-4,5-dihydropyrazolo[5,4-f]quinolin-7-yl)phenyl]cyclobutan-1-amine;1-[4-(2-methyl-8-phenyl-4,5-dihydropyrazolo[3,4-f]quinolin-7-yl)phenyl]cyclobutan-1-amine

1-[4-(1-methyl-8-phenyl-4,5-dihydropyrazolo[5,4-f]quinolin-7-yl)phenyl]cyclobutan-1-amine;1-[4-(2-methyl-8-phenyl-4,5-dihydropyrazolo[3,4-f]quinolin-7-yl)phenyl]cyclobutan-1-amine (PubChem CID 160643577) has the molecular formula C54H52N8 and a molecular weight of 813.07 g/mol. Its IUPAC name is 1-[4-(1-methyl-8-phenyl-4,5-dihydropyrazolo[5,4-f]quinolin-7-yl)phenyl]cyclobutan-1-amine;1-[4-(2-methyl-8-phenyl-4,5-dihydropyrazolo[3,4-f]quinolin-7-yl)phenyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[4-(1-methyl-8-phenyl-4,5-dihydropyrazolo[5,4-f]quinolin-7-yl)phenyl]cyclobutan-1-amine;1-[4-(2-methyl-8-phenyl-4,5-dihydropyrazolo[3,4-f]quinolin-7-yl)phenyl]cyclobutan-1-amine
PubChem CID160643577
Molecular FormulaC54H52N8
Molecular Weight813.07 g/mol
Exact Mass812.43
IUPAC Name1-[4-(1-methyl-8-phenyl-4,5-dihydropyrazolo[5,4-f]quinolin-7-yl)phenyl]cyclobutan-1-amine;1-[4-(2-methyl-8-phenyl-4,5-dihydropyrazolo[3,4-f]quinolin-7-yl)phenyl]cyclobutan-1-amine
SMILESCn1cc2c(n1)-c1cc(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc1CC2.Cn1ncc2c1-c1cc(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc1CC2
InChIInChI=1S/2C27H26N4/c1-31-17-20-10-13-24-23(26(20)30-31)16-22(18-6-3-2-4-7-18)25(29-24)19-8-11-21(12-9-19)27(28)14-5-15-27;1-31-26-20(17-29-31)10-13-24-23(26)16-22(18-6-3-2-4-7-18)25(30-24)19-8-11-21(12-9-19)27(28)14-5-15-27/h2*2-4,6-9,11-12,16-17H,5,10,13-15,28H2,1H3
InChIKeyRJMOOKQFEZAOSO-UHFFFAOYSA-N
XLogP10.51
TPSA113.46 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500813.07
LogP ≤ 510.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[4-(1-methyl-8-phenyl-4,5-dihydropyrazolo[5,4-f]quinolin-7-yl)phenyl]cyclobutan-1-amine;1-[4-(2-methyl-8-phenyl-4,5-dihydropyrazolo[3,4-f]quinolin-7-yl)phenyl]cyclobutan-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-methyl-8-phenyl-4,5-dihydropyrazolo[5,4-f]quinolin-7-yl)phenyl]cyclobutan-1-amine;1-[4-(2-methyl-8-phenyl-4,5-dihydropyrazolo[3,4-f]quinolin-7-yl)phenyl]cyclobutan-1-amine?
The IUPAC name of 1-[4-(1-methyl-8-phenyl-4,5-dihydropyrazolo[5,4-f]quinolin-7-yl)phenyl]cyclobutan-1-amine;1-[4-(2-methyl-8-phenyl-4,5-dihydropyrazolo[3,4-f]quinolin-7-yl)phenyl]cyclobutan-1-amine (CID 160643577) is 1-[4-(1-methyl-8-phenyl-4,5-dihydropyrazolo[5,4-f]quinolin-7-yl)phenyl]cyclobutan-1-amine;1-[4-(2-methyl-8-phenyl-4,5-dihydropyrazolo[3,4-f]quinolin-7-yl)phenyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[4-(1-methyl-8-phenyl-4,5-dihydropyrazolo[5,4-f]quinolin-7-yl)phenyl]cyclobutan-1-amine;1-[4-(2-methyl-8-phenyl-4,5-dihydropyrazolo[3,4-f]quinolin-7-yl)phenyl]cyclobutan-1-amine?
The canonical SMILES for 1-[4-(1-methyl-8-phenyl-4,5-dihydropyrazolo[5,4-f]quinolin-7-yl)phenyl]cyclobutan-1-amine;1-[4-(2-methyl-8-phenyl-4,5-dihydropyrazolo[3,4-f]quinolin-7-yl)phenyl]cyclobutan-1-amine is Cn1cc2c(n1)-c1cc(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc1CC2.Cn1ncc2c1-c1cc(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc1CC2.
What is the InChIKey of 1-[4-(1-methyl-8-phenyl-4,5-dihydropyrazolo[5,4-f]quinolin-7-yl)phenyl]cyclobutan-1-amine;1-[4-(2-methyl-8-phenyl-4,5-dihydropyrazolo[3,4-f]quinolin-7-yl)phenyl]cyclobutan-1-amine?
The InChIKey is RJMOOKQFEZAOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H26N4/c1-31-17-20-10-13-24-23(26(20)30-31)16-22(18-6-3-2-4-7-18)25(29-24)19-8-11-21(12-9-19)27(28)14-5-15-27;1-31-26-20(17-29-31)10-13-24-23(26)16-22(18-6-3-2-4-7-18)25(30-24)19-8-11-21(12-9-19)27(28)14-5-15-27/h2*2-4,6-9,11-12,16-17H,5,10,13-15,28H2,1H3.
What are the key properties of 1-[4-(1-methyl-8-phenyl-4,5-dihydropyrazolo[5,4-f]quinolin-7-yl)phenyl]cyclobutan-1-amine;1-[4-(2-methyl-8-phenyl-4,5-dihydropyrazolo[3,4-f]quinolin-7-yl)phenyl]cyclobutan-1-amine?
1-[4-(1-methyl-8-phenyl-4,5-dihydropyrazolo[5,4-f]quinolin-7-yl)phenyl]cyclobutan-1-amine;1-[4-(2-methyl-8-phenyl-4,5-dihydropyrazolo[3,4-f]quinolin-7-yl)phenyl]cyclobutan-1-amine has a molecular weight of 813.07 g/mol, XLogP of 10.51, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-methyl-8-phenyl-4,5-dihydropyrazolo[5,4-f]quinolin-7-yl)phenyl]cyclobutan-1-amine;1-[4-(2-methyl-8-phenyl-4,5-dihydropyrazolo[3,4-f]quinolin-7-yl)phenyl]cyclobutan-1-amine is sourced from PubChem (CID 160643577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).