N-[2,6-di(propan-2-yl)phenyl]-2-[8-(2-propylanilino)-5,6,7,8-tetrahydronaphthalen-1-yl]quinolin-8-amine

C40H45N3 — CID 159879076

IUPACN-[2,6-di(propan-2-yl)phenyl]-2-[8-(2-propylanilino)-5,6,7,8-tetrahydronaphthalen-1-yl]quinolin-8-amine
SMILESCCCc1ccccc1NC1CCCc2cccc(-c3ccc4cccc(Nc5c(C(C)C)cccc5C(C)C)c4n3)c21
InChIInChI=1S/C40H45N3/c1-6-13-28-14-7-8-21-34(28)41-36-22-10-16-29-15-9-20-33(38(29)36)35-25-24-30-17-11-23-37(39(30)42-35)43-40-31(26(2)3)18-12-19-32(40)27(4)5/h7-9,11-12,14-15,17-21,23-27,36,41,43H,6,10,13,16,22H2,1-5H3
InChIKeyGXUJFXVOJMTLEV-UHFFFAOYSA-N
MW567.82 g/mol
LogP11.33
Rot. Bonds9

About N-[2,6-di(propan-2-yl)phenyl]-2-[8-(2-propylanilino)-5,6,7,8-tetrahydronaphthalen-1-yl]quinolin-8-amine

N-[2,6-di(propan-2-yl)phenyl]-2-[8-(2-propylanilino)-5,6,7,8-tetrahydronaphthalen-1-yl]quinolin-8-amine (PubChem CID 159879076) has the molecular formula C40H45N3 and a molecular weight of 567.82 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-2-[8-(2-propylanilino)-5,6,7,8-tetrahydronaphthalen-1-yl]quinolin-8-amine.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-2-[8-(2-propylanilino)-5,6,7,8-tetrahydronaphthalen-1-yl]quinolin-8-amine
PubChem CID159879076
Molecular FormulaC40H45N3
Molecular Weight567.82 g/mol
Exact Mass567.36
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-2-[8-(2-propylanilino)-5,6,7,8-tetrahydronaphthalen-1-yl]quinolin-8-amine
SMILESCCCc1ccccc1NC1CCCc2cccc(-c3ccc4cccc(Nc5c(C(C)C)cccc5C(C)C)c4n3)c21
InChIInChI=1S/C40H45N3/c1-6-13-28-14-7-8-21-34(28)41-36-22-10-16-29-15-9-20-33(38(29)36)35-25-24-30-17-11-23-37(39(30)42-35)43-40-31(26(2)3)18-12-19-32(40)27(4)5/h7-9,11-12,14-15,17-21,23-27,36,41,43H,6,10,13,16,22H2,1-5H3
InChIKeyGXUJFXVOJMTLEV-UHFFFAOYSA-N
XLogP11.33
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.82
LogP ≤ 511.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2,6-di(propan-2-yl)phenyl]-2-[8-(2-propylanilino)-5,6,7,8-tetrahydronaphthalen-1-yl]quinolin-8-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(8-anilino-5,6,7,8-tetrahydronaphthalen-1-yl)-N-[2,6-di(propan-2-yl)phenyl]quinolin-8-amine;carbanide;hafnium
CID 175364943
2-[8-(cyclohexa-1,5-dien-1-ylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-N-[2,6-di(propan-2-yl)phenyl]quinolin-8-amine
CID 153340998
2-(3-anilino-2,3-dihydro-1H-inden-4-yl)-N-[2,6-di(propan-2-yl)phenyl]-1-methylindol-4-amine
CID 155620204
N-(2-propylphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 63433837
N-[2,6-di(propan-2-yl)phenyl]-2-(5-methylthiophen-3-yl)quinolin-8-amine
CID 71223813
N-(2-propylphenyl)-2,3-dihydro-1H-inden-2-amine
CID 43687471
N-[2,6-di(propan-2-yl)phenyl]-6-naphthalen-1-ylpyridin-2-amine
CID 22292706
N-[2,6-di(propan-2-yl)phenyl]benzo[h]quinolin-10-amine
CID 153406520
carbanide;[2,6-di(propan-2-yl)phenyl]-[2-[3-(2-methylphenyl)azanidyl-2,3-dihydro-1H-inden-4-yl]quinolin-8-yl]azanide;[2,6-di(propan-2-yl)phenyl]-[2-[2-[(2-methylphenyl)azanidylmethyl]naphthalen-1-yl]quinolin-8-yl]azanide;[2,6-di(propan-2-yl)phenyl]-[2-[8-(2-methylphenyl)azanidyl-5,6,7,8-tetrahydronaphthalen-1-yl]quinolin-8-yl]azanide;[2,6-di(propan-2-yl)phenyl]-[2-(3-phenylazanidyl-2,3-dihydro-1H-inden-4-yl)quinolin-8-yl]azanide;tetrakis(hafnium(4+))
CID 157294143
1-propan-2-yl-N-(2-propylphenyl)piperidin-4-amine
CID 43687285
1,7-di(propan-2-yl)-2,3-dihydro-1H-indene;1,8-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene;1-(2-methylpropyl)-2-propan-2-ylbenzene;2-(2-methylpropyl)-1-propan-2-ylnaphthalene
CID 161479157
5-ethyl-1,2,3,4-tetrahydronaphthalene;1-propan-2-ylnaphthalene
CID 166553359

Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2-[8-(2-propylanilino)-5,6,7,8-tetrahydronaphthalen-1-yl]quinolin-8-amine?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2-[8-(2-propylanilino)-5,6,7,8-tetrahydronaphthalen-1-yl]quinolin-8-amine (CID 159879076) is N-[2,6-di(propan-2-yl)phenyl]-2-[8-(2-propylanilino)-5,6,7,8-tetrahydronaphthalen-1-yl]quinolin-8-amine.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-2-[8-(2-propylanilino)-5,6,7,8-tetrahydronaphthalen-1-yl]quinolin-8-amine?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-2-[8-(2-propylanilino)-5,6,7,8-tetrahydronaphthalen-1-yl]quinolin-8-amine is CCCc1ccccc1NC1CCCc2cccc(-c3ccc4cccc(Nc5c(C(C)C)cccc5C(C)C)c4n3)c21.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-2-[8-(2-propylanilino)-5,6,7,8-tetrahydronaphthalen-1-yl]quinolin-8-amine?
The InChIKey is GXUJFXVOJMTLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H45N3/c1-6-13-28-14-7-8-21-34(28)41-36-22-10-16-29-15-9-20-33(38(29)36)35-25-24-30-17-11-23-37(39(30)42-35)43-40-31(26(2)3)18-12-19-32(40)27(4)5/h7-9,11-12,14-15,17-21,23-27,36,41,43H,6,10,13,16,22H2,1-5H3.
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-2-[8-(2-propylanilino)-5,6,7,8-tetrahydronaphthalen-1-yl]quinolin-8-amine?
N-[2,6-di(propan-2-yl)phenyl]-2-[8-(2-propylanilino)-5,6,7,8-tetrahydronaphthalen-1-yl]quinolin-8-amine has a molecular weight of 567.82 g/mol, XLogP of 11.33, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]-2-[8-(2-propylanilino)-5,6,7,8-tetrahydronaphthalen-1-yl]quinolin-8-amine is sourced from PubChem (CID 159879076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).