2-(2-chlorophenyl)-N-(3-ethyl-3H-isoindol-1-yl)-5,6,7,8-tetrahydroquinolin-4-amine

C25H24ClN3 — CID 142126708

IUPAC2-(2-chlorophenyl)-N-(3-ethyl-3H-isoindol-1-yl)-5,6,7,8-tetrahydroquinolin-4-amine
SMILESCCC1N=C(Nc2cc(-c3ccccc3Cl)nc3c2CCCC3)c2ccccc21
InChIInChI=1S/C25H24ClN3/c1-2-21-16-9-3-4-10-17(16)25(28-21)29-24-15-23(18-11-5-7-13-20(18)26)27-22-14-8-6-12-19(22)24/h3-5,7,9-11,13,15,21H,2,6,8,12,14H2,1H3,(H,27,28,29)
InChIKeyXRTNVDGMNNWYOW-UHFFFAOYSA-N
MW401.94 g/mol
LogP6.60
Rot. Bonds3

About 2-(2-chlorophenyl)-N-(3-ethyl-3H-isoindol-1-yl)-5,6,7,8-tetrahydroquinolin-4-amine

2-(2-chlorophenyl)-N-(3-ethyl-3H-isoindol-1-yl)-5,6,7,8-tetrahydroquinolin-4-amine (PubChem CID 142126708) has the molecular formula C25H24ClN3 and a molecular weight of 401.94 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-(3-ethyl-3H-isoindol-1-yl)-5,6,7,8-tetrahydroquinolin-4-amine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-(3-ethyl-3H-isoindol-1-yl)-5,6,7,8-tetrahydroquinolin-4-amine
PubChem CID142126708
Molecular FormulaC25H24ClN3
Molecular Weight401.94 g/mol
Exact Mass401.17
IUPAC Name2-(2-chlorophenyl)-N-(3-ethyl-3H-isoindol-1-yl)-5,6,7,8-tetrahydroquinolin-4-amine
SMILESCCC1N=C(Nc2cc(-c3ccccc3Cl)nc3c2CCCC3)c2ccccc21
InChIInChI=1S/C25H24ClN3/c1-2-21-16-9-3-4-10-17(16)25(28-21)29-24-15-23(18-11-5-7-13-20(18)26)27-22-14-8-6-12-19(22)24/h3-5,7,9-11,13,15,21H,2,6,8,12,14H2,1H3,(H,27,28,29)
InChIKeyXRTNVDGMNNWYOW-UHFFFAOYSA-N
XLogP6.60
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.94
LogP ≤ 56.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chlorophenyl)-5-N-(3-ethyl-3H-isoindol-1-yl)-1,2,4-triazine-5,6-diamine
CID 142126715
2-(2-chlorophenyl)-N-(4-ethyl-7-fluoro-2-methyl-3,4-dihydronaphthalen-1-yl)-5,6,7,8-tetrahydroquinolin-4-amine
CID 142126512
3-ethyl-N-[4-piperidin-1-yl-6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]-3H-isoindol-1-amine
CID 142127468
N-(3-ethyl-4-fluoro-3H-isoindol-1-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 142128188
2-(2-chlorophenyl)-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 63486615
4-chloro-2-phenyl-5,6,7,8-tetrahydroquinoline
CID 12798312
N-(3-ethyl-3H-isoindol-1-yl)-7-[2-(trifluoromethyl)phenyl]-1,6-naphthyridin-5-amine
CID 142125698
2-phenyl-N-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydroquinolin-4-amine
CID 139663457
1-[2-(2-chlorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1-(4-ethyl-4H-naphthalen-1-yl)hydrazine
CID 89357916
4-chloro-2-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 118037090
3-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]propan-1-ol;hydrochloride
CID 118037249
4-(2-chlorophenyl)-2-(methylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 56933566

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-(3-ethyl-3H-isoindol-1-yl)-5,6,7,8-tetrahydroquinolin-4-amine?
The IUPAC name of 2-(2-chlorophenyl)-N-(3-ethyl-3H-isoindol-1-yl)-5,6,7,8-tetrahydroquinolin-4-amine (CID 142126708) is 2-(2-chlorophenyl)-N-(3-ethyl-3H-isoindol-1-yl)-5,6,7,8-tetrahydroquinolin-4-amine.
What is the SMILES notation for 2-(2-chlorophenyl)-N-(3-ethyl-3H-isoindol-1-yl)-5,6,7,8-tetrahydroquinolin-4-amine?
The canonical SMILES for 2-(2-chlorophenyl)-N-(3-ethyl-3H-isoindol-1-yl)-5,6,7,8-tetrahydroquinolin-4-amine is CCC1N=C(Nc2cc(-c3ccccc3Cl)nc3c2CCCC3)c2ccccc21.
What is the InChIKey of 2-(2-chlorophenyl)-N-(3-ethyl-3H-isoindol-1-yl)-5,6,7,8-tetrahydroquinolin-4-amine?
The InChIKey is XRTNVDGMNNWYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3/c1-2-21-16-9-3-4-10-17(16)25(28-21)29-24-15-23(18-11-5-7-13-20(18)26)27-22-14-8-6-12-19(22)24/h3-5,7,9-11,13,15,21H,2,6,8,12,14H2,1H3,(H,27,28,29).
What are the key properties of 2-(2-chlorophenyl)-N-(3-ethyl-3H-isoindol-1-yl)-5,6,7,8-tetrahydroquinolin-4-amine?
2-(2-chlorophenyl)-N-(3-ethyl-3H-isoindol-1-yl)-5,6,7,8-tetrahydroquinolin-4-amine has a molecular weight of 401.94 g/mol, XLogP of 6.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-(3-ethyl-3H-isoindol-1-yl)-5,6,7,8-tetrahydroquinolin-4-amine is sourced from PubChem (CID 142126708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).