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

C37H41N3 — CID 153340998

IUPAC2-[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
SMILESCC(C)c1cccc(C(C)C)c1Nc1cccc2ccc(-c3cccc4c3C(NC3=CCCC=C3)CCC4)nc12
InChIInChI=1S/C37H41N3/c1-24(2)29-17-11-18-30(25(3)4)37(29)40-34-21-10-14-27-22-23-32(39-36(27)34)31-19-8-12-26-13-9-20-33(35(26)31)38-28-15-6-5-7-16-28/h6,8,10-12,14-19,21-25,33,38,40H,5,7,9,13,20H2,1-4H3
InChIKeyJYNMZFBRHZTWMP-UHFFFAOYSA-N
MW527.76 g/mol
LogP10.09
Rot. Bonds7

About 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

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 (PubChem CID 153340998) has the molecular formula C37H41N3 and a molecular weight of 527.76 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID153340998
Molecular FormulaC37H41N3
Molecular Weight527.76 g/mol
Exact Mass527.33
IUPAC Name2-[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
SMILESCC(C)c1cccc(C(C)C)c1Nc1cccc2ccc(-c3cccc4c3C(NC3=CCCC=C3)CCC4)nc12
InChIInChI=1S/C37H41N3/c1-24(2)29-17-11-18-30(25(3)4)37(29)40-34-21-10-14-27-22-23-32(39-36(27)34)31-19-8-12-26-13-9-20-33(35(26)31)38-28-15-6-5-7-16-28/h6,8,10-12,14-19,21-25,33,38,40H,5,7,9,13,20H2,1-4H3
InChIKeyJYNMZFBRHZTWMP-UHFFFAOYSA-N
XLogP10.09
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.76
LogP ≤ 510.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 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 with MolForge

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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
N-[2,6-di(propan-2-yl)phenyl]-2-[8-(2-propylanilino)-5,6,7,8-tetrahydronaphthalen-1-yl]quinolin-8-amine
CID 159879076
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-[2,6-di(propan-2-yl)phenyl]-2-(5-methylthiophen-3-yl)quinolin-8-amine
CID 71223813
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-(2-propan-2-ylphenyl)-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea
CID 2441518
N-[2,6-di(propan-2-yl)phenyl]-6-naphthalen-1-ylpyridin-2-amine
CID 22292706
N-[(S)-[6-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)-2-pyridinyl]-(2-propan-2-ylphenyl)methyl]-2,6-di(propan-2-yl)aniline
CID 161153078
3-N-cyclopentyl-5-N-[2,6-di(propan-2-yl)phenyl]-1,2,4-triazine-3,5-diamine
CID 112941777
1-N,2-N-bis[2,6-di(propan-2-yl)phenyl]-1,2-dihydroacenaphthylene-1,2-diamine
CID 5254671
2,6-di(propan-2-yl)-N-[2-(quinolin-8-yliminomethyl)phenyl]aniline
CID 102529108

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)c1cccc(C(C)C)c1Nc1cccc2ccc(-c3cccc4c3C(NC3=CCCC=C3)CCC4)nc12.
What is the InChIKey of 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?
The InChIKey is JYNMZFBRHZTWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H41N3/c1-24(2)29-17-11-18-30(25(3)4)37(29)40-34-21-10-14-27-22-23-32(39-36(27)34)31-19-8-12-26-13-9-20-33(35(26)31)38-28-15-6-5-7-16-28/h6,8,10-12,14-19,21-25,33,38,40H,5,7,9,13,20H2,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 527.76 g/mol, XLogP of 10.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 153340998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).