N-ethyl-4-methoxy-2-(2-methylphenyl)-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine

C29H30N2O — CID 25192338

IUPACN-ethyl-4-methoxy-2-(2-methylphenyl)-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine
SMILESCCN(c1cccc2ccccc12)C1CCCc2nc(-c3ccccc3C)cc(OC)c21
InChIInChI=1S/C29H30N2O/c1-4-31(26-17-9-13-21-12-6-8-15-23(21)26)27-18-10-16-24-29(27)28(32-3)19-25(30-24)22-14-7-5-11-20(22)2/h5-9,11-15,17,19,27H,4,10,16,18H2,1-3H3
InChIKeyJFOVPHALQDHNQN-UHFFFAOYSA-N
MW422.57 g/mol
LogP7.12
Rot. Bonds5

About N-ethyl-4-methoxy-2-(2-methylphenyl)-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine

N-ethyl-4-methoxy-2-(2-methylphenyl)-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine (PubChem CID 25192338) has the molecular formula C29H30N2O and a molecular weight of 422.57 g/mol. Its IUPAC name is N-ethyl-4-methoxy-2-(2-methylphenyl)-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine.

Molecular Properties

Compound NameN-ethyl-4-methoxy-2-(2-methylphenyl)-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine
PubChem CID25192338
Molecular FormulaC29H30N2O
Molecular Weight422.57 g/mol
Exact Mass422.24
IUPAC NameN-ethyl-4-methoxy-2-(2-methylphenyl)-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine
SMILESCCN(c1cccc2ccccc12)C1CCCc2nc(-c3ccccc3C)cc(OC)c21
InChIInChI=1S/C29H30N2O/c1-4-31(26-17-9-13-21-12-6-8-15-23(21)26)27-18-10-16-24-29(27)28(32-3)19-25(30-24)22-14-7-5-11-20(22)2/h5-9,11-15,17,19,27H,4,10,16,18H2,1-3H3
InChIKeyJFOVPHALQDHNQN-UHFFFAOYSA-N
XLogP7.12
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.57
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methoxy-2-(2-methylphenyl)-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine?
The IUPAC name of N-ethyl-4-methoxy-2-(2-methylphenyl)-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine (CID 25192338) is N-ethyl-4-methoxy-2-(2-methylphenyl)-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine.
What is the SMILES notation for N-ethyl-4-methoxy-2-(2-methylphenyl)-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine?
The canonical SMILES for N-ethyl-4-methoxy-2-(2-methylphenyl)-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine is CCN(c1cccc2ccccc12)C1CCCc2nc(-c3ccccc3C)cc(OC)c21.
What is the InChIKey of N-ethyl-4-methoxy-2-(2-methylphenyl)-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine?
The InChIKey is JFOVPHALQDHNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2O/c1-4-31(26-17-9-13-21-12-6-8-15-23(21)26)27-18-10-16-24-29(27)28(32-3)19-25(30-24)22-14-7-5-11-20(22)2/h5-9,11-15,17,19,27H,4,10,16,18H2,1-3H3.
What are the key properties of N-ethyl-4-methoxy-2-(2-methylphenyl)-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine?
N-ethyl-4-methoxy-2-(2-methylphenyl)-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine has a molecular weight of 422.57 g/mol, XLogP of 7.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methoxy-2-(2-methylphenyl)-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine is sourced from PubChem (CID 25192338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).