tert-butyl-[1-[4-(2-methyl-8-phenyl-4,5-dihydropyrazolo[3,4-f]quinolin-7-yl)phenyl]cyclobutyl]carbamic acid

C32H34N4O2 — CID 67261432

IUPACtert-butyl-[1-[4-(2-methyl-8-phenyl-4,5-dihydropyrazolo[3,4-f]quinolin-7-yl)phenyl]cyclobutyl]carbamic acid
SMILESCn1cc2c(n1)-c1cc(-c3ccccc3)c(-c3ccc(C4(N(C(=O)O)C(C)(C)C)CCC4)cc3)nc1CC2
InChIInChI=1S/C32H34N4O2/c1-31(2,3)36(30(37)38)32(17-8-18-32)24-14-11-22(12-15-24)28-25(21-9-6-5-7-10-21)19-26-27(33-28)16-13-23-20-35(4)34-29(23)26/h5-7,9-12,14-15,19-20H,8,13,16-18H2,1-4H3,(H,37,38)
InChIKeyVDBFKXHAMCYUGA-UHFFFAOYSA-N
MW506.65 g/mol
LogP7.07
Rot. Bonds4

About tert-butyl-[1-[4-(2-methyl-8-phenyl-4,5-dihydropyrazolo[3,4-f]quinolin-7-yl)phenyl]cyclobutyl]carbamic acid

tert-butyl-[1-[4-(2-methyl-8-phenyl-4,5-dihydropyrazolo[3,4-f]quinolin-7-yl)phenyl]cyclobutyl]carbamic acid (PubChem CID 67261432) has the molecular formula C32H34N4O2 and a molecular weight of 506.65 g/mol. Its IUPAC name is tert-butyl-[1-[4-(2-methyl-8-phenyl-4,5-dihydropyrazolo[3,4-f]quinolin-7-yl)phenyl]cyclobutyl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[1-[4-(2-methyl-8-phenyl-4,5-dihydropyrazolo[3,4-f]quinolin-7-yl)phenyl]cyclobutyl]carbamic acid
PubChem CID67261432
Molecular FormulaC32H34N4O2
Molecular Weight506.65 g/mol
Exact Mass506.27
IUPAC Nametert-butyl-[1-[4-(2-methyl-8-phenyl-4,5-dihydropyrazolo[3,4-f]quinolin-7-yl)phenyl]cyclobutyl]carbamic acid
SMILESCn1cc2c(n1)-c1cc(-c3ccccc3)c(-c3ccc(C4(N(C(=O)O)C(C)(C)C)CCC4)cc3)nc1CC2
InChIInChI=1S/C32H34N4O2/c1-31(2,3)36(30(37)38)32(17-8-18-32)24-14-11-22(12-15-24)28-25(21-9-6-5-7-10-21)19-26-27(33-28)16-13-23-20-35(4)34-29(23)26/h5-7,9-12,14-15,19-20H,8,13,16-18H2,1-4H3,(H,37,38)
InChIKeyVDBFKXHAMCYUGA-UHFFFAOYSA-N
XLogP7.07
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.65
LogP ≤ 57.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl-[1-[4-(6-hydroxyimino-5-oxo-3-phenyl-7,8-dihydroquinolin-2-yl)phenyl]cyclobutyl]carbamic acid
CID 173056954
2-methyl-7,8-diphenyl-4,5-dihydropyrazolo[3,4-f]quinoline
CID 141304902
tert-butyl-[1-[4-(2-oxo-7-phenyl-3,4-dihydro-1H-pyrido[3,2-d]pyrimidin-6-yl)phenyl]cyclobutyl]carbamic acid
CID 67256575
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
tert-butyl-[1-[4-(3-morpholin-4-yl-8-phenyl-4,5-dihydro-1H-pyrazolo[5,4-f]quinolin-7-yl)phenyl]cyclobutyl]carbamic acid
CID 67256805
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
tert-butyl-[1-[4-(9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]cyclobutyl]carbamic acid
CID 25057611
tert-butyl-[1-[4-[1-(1-cyanoethyl)-2-oxo-7-phenylpyrido[2,3-b][1,4]oxazin-6-yl]phenyl]cyclobutyl]carbamic acid
CID 67257136
tert-butyl-[1-[4-[1-(4-cyanobutyl)-2-oxo-7-phenylpyrido[2,3-b][1,4]oxazin-6-yl]phenyl]cyclobutyl]carbamic acid
CID 67256145
2-[4-(1-aminocyclobutyl)phenyl]-3-phenyl-7,8-dihydro-6H-quinolin-5-one;tert-butyl-[1-[4-(2-oxo-7-phenyl-1-prop-2-ynylpyrido[2,3-b][1,4]oxazin-6-yl)phenyl]cyclobutyl]carbamic acid
CID 87327209
tert-butyl N-[1-[4-(3-hydroxy-2-methyl-8-phenyl-4,5-dihydroimidazo[4,5-f]quinolin-7-yl)phenyl]cyclobutyl]carbamate
CID 123557753
tert-butyl-[1-[4-(4-oxo-3-phenyl-5H-furo[3,2-c]pyridin-2-yl)phenyl]cyclobutyl]carbamic acid
CID 67207031

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[1-[4-(2-methyl-8-phenyl-4,5-dihydropyrazolo[3,4-f]quinolin-7-yl)phenyl]cyclobutyl]carbamic acid?
The IUPAC name of tert-butyl-[1-[4-(2-methyl-8-phenyl-4,5-dihydropyrazolo[3,4-f]quinolin-7-yl)phenyl]cyclobutyl]carbamic acid (CID 67261432) is tert-butyl-[1-[4-(2-methyl-8-phenyl-4,5-dihydropyrazolo[3,4-f]quinolin-7-yl)phenyl]cyclobutyl]carbamic acid.
What is the SMILES notation for tert-butyl-[1-[4-(2-methyl-8-phenyl-4,5-dihydropyrazolo[3,4-f]quinolin-7-yl)phenyl]cyclobutyl]carbamic acid?
The canonical SMILES for tert-butyl-[1-[4-(2-methyl-8-phenyl-4,5-dihydropyrazolo[3,4-f]quinolin-7-yl)phenyl]cyclobutyl]carbamic acid is Cn1cc2c(n1)-c1cc(-c3ccccc3)c(-c3ccc(C4(N(C(=O)O)C(C)(C)C)CCC4)cc3)nc1CC2.
What is the InChIKey of tert-butyl-[1-[4-(2-methyl-8-phenyl-4,5-dihydropyrazolo[3,4-f]quinolin-7-yl)phenyl]cyclobutyl]carbamic acid?
The InChIKey is VDBFKXHAMCYUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N4O2/c1-31(2,3)36(30(37)38)32(17-8-18-32)24-14-11-22(12-15-24)28-25(21-9-6-5-7-10-21)19-26-27(33-28)16-13-23-20-35(4)34-29(23)26/h5-7,9-12,14-15,19-20H,8,13,16-18H2,1-4H3,(H,37,38).
What are the key properties of tert-butyl-[1-[4-(2-methyl-8-phenyl-4,5-dihydropyrazolo[3,4-f]quinolin-7-yl)phenyl]cyclobutyl]carbamic acid?
tert-butyl-[1-[4-(2-methyl-8-phenyl-4,5-dihydropyrazolo[3,4-f]quinolin-7-yl)phenyl]cyclobutyl]carbamic acid has a molecular weight of 506.65 g/mol, XLogP of 7.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[1-[4-(2-methyl-8-phenyl-4,5-dihydropyrazolo[3,4-f]quinolin-7-yl)phenyl]cyclobutyl]carbamic acid is sourced from PubChem (CID 67261432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).