3-[7-[4-(1-aminocyclobutyl)phenyl]-8-phenyl-4,5-dihydro-2H-pyrazolo[3,4-f]quinolin-3-yl]propan-1-ol

C29H30N4O — CID 158050487

IUPAC3-[7-[4-(1-aminocyclobutyl)phenyl]-8-phenyl-4,5-dihydro-2H-pyrazolo[3,4-f]quinolin-3-yl]propan-1-ol
SMILESNC1(c2ccc(-c3nc4c(cc3-c3ccccc3)-c3n[nH]c(CCCO)c3CC4)cc2)CCC1
InChIInChI=1S/C29H30N4O/c30-29(15-5-16-29)21-11-9-20(10-12-21)27-23(19-6-2-1-3-7-19)18-24-25(31-27)14-13-22-26(8-4-17-34)32-33-28(22)24/h1-3,6-7,9-12,18,34H,4-5,8,13-17,30H2,(H,32,33)
InChIKeyFJKOFUHMQIIFJD-UHFFFAOYSA-N
MW450.59 g/mol
LogP5.17
Rot. Bonds6

About 3-[7-[4-(1-aminocyclobutyl)phenyl]-8-phenyl-4,5-dihydro-2H-pyrazolo[3,4-f]quinolin-3-yl]propan-1-ol

3-[7-[4-(1-aminocyclobutyl)phenyl]-8-phenyl-4,5-dihydro-2H-pyrazolo[3,4-f]quinolin-3-yl]propan-1-ol (PubChem CID 158050487) has the molecular formula C29H30N4O and a molecular weight of 450.59 g/mol. Its IUPAC name is 3-[7-[4-(1-aminocyclobutyl)phenyl]-8-phenyl-4,5-dihydro-2H-pyrazolo[3,4-f]quinolin-3-yl]propan-1-ol.

Molecular Properties

Compound Name3-[7-[4-(1-aminocyclobutyl)phenyl]-8-phenyl-4,5-dihydro-2H-pyrazolo[3,4-f]quinolin-3-yl]propan-1-ol
PubChem CID158050487
Molecular FormulaC29H30N4O
Molecular Weight450.59 g/mol
Exact Mass450.24
IUPAC Name3-[7-[4-(1-aminocyclobutyl)phenyl]-8-phenyl-4,5-dihydro-2H-pyrazolo[3,4-f]quinolin-3-yl]propan-1-ol
SMILESNC1(c2ccc(-c3nc4c(cc3-c3ccccc3)-c3n[nH]c(CCCO)c3CC4)cc2)CCC1
InChIInChI=1S/C29H30N4O/c30-29(15-5-16-29)21-11-9-20(10-12-21)27-23(19-6-2-1-3-7-19)18-24-25(31-27)14-13-22-26(8-4-17-34)32-33-28(22)24/h1-3,6-7,9-12,18,34H,4-5,8,13-17,30H2,(H,32,33)
InChIKeyFJKOFUHMQIIFJD-UHFFFAOYSA-N
XLogP5.17
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.59
LogP ≤ 55.17
H-Bond Donors ≤ 53
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-2,3,4,5-tetrahydropyrazolo[3,4-f]quinolin-7-yl)phenyl]cyclobutan-1-amine
CID 141304876
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
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
4-[[7-[4-(1-aminocyclobutyl)phenyl]-6-phenylpyrido[2,3-d]pyrimidin-2-yl]amino]butan-1-ol
CID 67002267
tert-butyl-[1-[4-[3-(2-hydroxyethylamino)-8-phenyl-4,5-dihydro-1H-pyrazolo[5,4-f]quinolin-7-yl]phenyl]cyclobutyl]carbamic acid
CID 67257386
6-[4-(1-aminocyclobutyl)phenyl]-1-(2-oxopropyl)-7-phenylpyrido[2,3-b][1,4]oxazin-2-one
CID 53261991
1-[4-[5-(difluoromethyl)-3-phenyl-1,6-naphthyridin-2-yl]phenyl]cyclobutan-1-amine
CID 58524849
1-[4-[6-(1-amino-3-iminopropan-2-yl)-3-phenyl-1,5-naphthyridin-2-yl]phenyl]cyclobutan-1-amine
CID 89044335
4-[7-[4-(1-aminocyclobutyl)phenyl]-6-phenylpyrido[2,3-d]pyrimidin-2-yl]-2,2-dimethylbutan-1-ol
CID 58524549
1-[4-(2,6-diphenylimidazo[1,2-a]pyrimidin-7-yl)phenyl]cyclobutan-1-amine
CID 46927245

Frequently Asked Questions

What is the IUPAC name of 3-[7-[4-(1-aminocyclobutyl)phenyl]-8-phenyl-4,5-dihydro-2H-pyrazolo[3,4-f]quinolin-3-yl]propan-1-ol?
The IUPAC name of 3-[7-[4-(1-aminocyclobutyl)phenyl]-8-phenyl-4,5-dihydro-2H-pyrazolo[3,4-f]quinolin-3-yl]propan-1-ol (CID 158050487) is 3-[7-[4-(1-aminocyclobutyl)phenyl]-8-phenyl-4,5-dihydro-2H-pyrazolo[3,4-f]quinolin-3-yl]propan-1-ol.
What is the SMILES notation for 3-[7-[4-(1-aminocyclobutyl)phenyl]-8-phenyl-4,5-dihydro-2H-pyrazolo[3,4-f]quinolin-3-yl]propan-1-ol?
The canonical SMILES for 3-[7-[4-(1-aminocyclobutyl)phenyl]-8-phenyl-4,5-dihydro-2H-pyrazolo[3,4-f]quinolin-3-yl]propan-1-ol is NC1(c2ccc(-c3nc4c(cc3-c3ccccc3)-c3n[nH]c(CCCO)c3CC4)cc2)CCC1.
What is the InChIKey of 3-[7-[4-(1-aminocyclobutyl)phenyl]-8-phenyl-4,5-dihydro-2H-pyrazolo[3,4-f]quinolin-3-yl]propan-1-ol?
The InChIKey is FJKOFUHMQIIFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O/c30-29(15-5-16-29)21-11-9-20(10-12-21)27-23(19-6-2-1-3-7-19)18-24-25(31-27)14-13-22-26(8-4-17-34)32-33-28(22)24/h1-3,6-7,9-12,18,34H,4-5,8,13-17,30H2,(H,32,33).
What are the key properties of 3-[7-[4-(1-aminocyclobutyl)phenyl]-8-phenyl-4,5-dihydro-2H-pyrazolo[3,4-f]quinolin-3-yl]propan-1-ol?
3-[7-[4-(1-aminocyclobutyl)phenyl]-8-phenyl-4,5-dihydro-2H-pyrazolo[3,4-f]quinolin-3-yl]propan-1-ol has a molecular weight of 450.59 g/mol, XLogP of 5.17, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-[4-(1-aminocyclobutyl)phenyl]-8-phenyl-4,5-dihydro-2H-pyrazolo[3,4-f]quinolin-3-yl]propan-1-ol is sourced from PubChem (CID 158050487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).