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

C27H28N4 — CID 141304876

IUPAC1-[4-(1-methyl-8-phenyl-2,3,4,5-tetrahydropyrazolo[3,4-f]quinolin-7-yl)phenyl]cyclobutan-1-amine
SMILESCN1NCC2=C1c1cc(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc1CC2
InChIInChI=1S/C27H28N4/c1-31-26-20(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/h2-4,6-9,11-12,16,29H,5,10,13-15,17,28H2,1H3
InChIKeyZALWIDWUTOAZNW-UHFFFAOYSA-N
MW408.55 g/mol
LogP4.86
Rot. Bonds3

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

1-[4-(1-methyl-8-phenyl-2,3,4,5-tetrahydropyrazolo[3,4-f]quinolin-7-yl)phenyl]cyclobutan-1-amine (PubChem CID 141304876) has the molecular formula C27H28N4 and a molecular weight of 408.55 g/mol. Its IUPAC name is 1-[4-(1-methyl-8-phenyl-2,3,4,5-tetrahydropyrazolo[3,4-f]quinolin-7-yl)phenyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[4-(1-methyl-8-phenyl-2,3,4,5-tetrahydropyrazolo[3,4-f]quinolin-7-yl)phenyl]cyclobutan-1-amine
PubChem CID141304876
Molecular FormulaC27H28N4
Molecular Weight408.55 g/mol
Exact Mass408.23
IUPAC Name1-[4-(1-methyl-8-phenyl-2,3,4,5-tetrahydropyrazolo[3,4-f]quinolin-7-yl)phenyl]cyclobutan-1-amine
SMILESCN1NCC2=C1c1cc(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc1CC2
InChIInChI=1S/C27H28N4/c1-31-26-20(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/h2-4,6-9,11-12,16,29H,5,10,13-15,17,28H2,1H3
InChIKeyZALWIDWUTOAZNW-UHFFFAOYSA-N
XLogP4.86
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(3-ethyl-8-phenyl-4,5-dihydro-2H-pyrazolo[3,4-f]quinolin-7-yl)phenyl]cyclobutan-1-amine
CID 160935356
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
3-[7-[4-(1-aminocyclobutyl)phenyl]-8-phenyl-4,5-dihydro-2H-pyrazolo[3,4-f]quinolin-3-yl]propan-1-ol
CID 158050487
2-[4-(1-aminocyclobutyl)phenyl]-3-phenyl-8H-pyrano[3,4-b]pyridin-5-one
CID 53261732
6-[4-(1-aminocyclobutyl)phenyl]-2-(aminomethyl)-5-phenylpyridin-3-amine
CID 174663749
6-[4-(1-aminocyclobutyl)phenyl]-1-(2-methoxyethyl)-7-phenylpyrido[2,3-b][1,4]oxazin-2-one
CID 67254897
1-[4-(1-methyl-8-phenyl-[1,2,4]triazolo[4,3-a][1,5]naphthyridin-7-yl)phenyl]cyclobutan-1-amine
CID 44548388
6-[4-(1-aminocyclobutyl)cyclohexa-1,3-dien-1-yl]-1-methyl-7-phenyl-3,4-dihydropyrido[3,2-d]pyrimidin-2-one
CID 123403255
1-[4-(2,6-diphenylimidazo[1,2-a]pyrimidin-7-yl)phenyl]cyclobutan-1-amine
CID 46927245
1-[4-(3,12-diphenyl-8-oxa-2,4,5,10-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-11-yl)phenyl]cyclobutan-1-amine
CID 53261684
1-[4-(2-ethyl-6-phenylimidazo[1,2-a]pyrimidin-7-yl)phenyl]cyclobutan-1-amine
CID 46927249
1-[4-[7-[4-(1-aminocyclobutyl)phenyl]-6-phenylpyrido[2,3-d]pyrimidin-2-yl]piperazin-1-yl]ethanone;dihydrochloride
CID 173038104

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-methyl-8-phenyl-2,3,4,5-tetrahydropyrazolo[3,4-f]quinolin-7-yl)phenyl]cyclobutan-1-amine?
The IUPAC name of 1-[4-(1-methyl-8-phenyl-2,3,4,5-tetrahydropyrazolo[3,4-f]quinolin-7-yl)phenyl]cyclobutan-1-amine (CID 141304876) is 1-[4-(1-methyl-8-phenyl-2,3,4,5-tetrahydropyrazolo[3,4-f]quinolin-7-yl)phenyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[4-(1-methyl-8-phenyl-2,3,4,5-tetrahydropyrazolo[3,4-f]quinolin-7-yl)phenyl]cyclobutan-1-amine?
The canonical SMILES for 1-[4-(1-methyl-8-phenyl-2,3,4,5-tetrahydropyrazolo[3,4-f]quinolin-7-yl)phenyl]cyclobutan-1-amine is CN1NCC2=C1c1cc(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc1CC2.
What is the InChIKey of 1-[4-(1-methyl-8-phenyl-2,3,4,5-tetrahydropyrazolo[3,4-f]quinolin-7-yl)phenyl]cyclobutan-1-amine?
The InChIKey is ZALWIDWUTOAZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4/c1-31-26-20(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/h2-4,6-9,11-12,16,29H,5,10,13-15,17,28H2,1H3.
What are the key properties of 1-[4-(1-methyl-8-phenyl-2,3,4,5-tetrahydropyrazolo[3,4-f]quinolin-7-yl)phenyl]cyclobutan-1-amine?
1-[4-(1-methyl-8-phenyl-2,3,4,5-tetrahydropyrazolo[3,4-f]quinolin-7-yl)phenyl]cyclobutan-1-amine has a molecular weight of 408.55 g/mol, XLogP of 4.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-methyl-8-phenyl-2,3,4,5-tetrahydropyrazolo[3,4-f]quinolin-7-yl)phenyl]cyclobutan-1-amine is sourced from PubChem (CID 141304876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).