(E)-3-(4-chlorophenyl)-6-naphthalen-2-yl-N-(quinolin-3-ylmethyl)hex-5-en-2-amine

C32H29ClN2 — CID 19038653

IUPAC(E)-3-(4-chlorophenyl)-6-naphthalen-2-yl-N-(quinolin-3-ylmethyl)hex-5-en-2-amine
SMILESCC(NCc1cnc2ccccc2c1)C(C/C=C/c1ccc2ccccc2c1)c1ccc(Cl)cc1
InChIInChI=1S/C32H29ClN2/c1-23(34-21-25-20-29-10-4-5-12-32(29)35-22-25)31(27-15-17-30(33)18-16-27)11-6-7-24-13-14-26-8-2-3-9-28(26)19-24/h2-10,12-20,22-23,31,34H,11,21H2,1H3/b7-6+
InChIKeyPCWOYHSZIGMCEP-VOTSOKGWSA-N
MW477.05 g/mol
LogP8.41
Rot. Bonds8

About (E)-3-(4-chlorophenyl)-6-naphthalen-2-yl-N-(quinolin-3-ylmethyl)hex-5-en-2-amine

(E)-3-(4-chlorophenyl)-6-naphthalen-2-yl-N-(quinolin-3-ylmethyl)hex-5-en-2-amine (PubChem CID 19038653) has the molecular formula C32H29ClN2 and a molecular weight of 477.05 g/mol. Its IUPAC name is (E)-3-(4-chlorophenyl)-6-naphthalen-2-yl-N-(quinolin-3-ylmethyl)hex-5-en-2-amine.

Molecular Properties

Compound Name(E)-3-(4-chlorophenyl)-6-naphthalen-2-yl-N-(quinolin-3-ylmethyl)hex-5-en-2-amine
PubChem CID19038653
Molecular FormulaC32H29ClN2
Molecular Weight477.05 g/mol
Exact Mass476.20
IUPAC Name(E)-3-(4-chlorophenyl)-6-naphthalen-2-yl-N-(quinolin-3-ylmethyl)hex-5-en-2-amine
SMILESCC(NCc1cnc2ccccc2c1)C(C/C=C/c1ccc2ccccc2c1)c1ccc(Cl)cc1
InChIInChI=1S/C32H29ClN2/c1-23(34-21-25-20-29-10-4-5-12-32(29)35-22-25)31(27-15-17-30(33)18-16-27)11-6-7-24-13-14-26-8-2-3-9-28(26)19-24/h2-10,12-20,22-23,31,34H,11,21H2,1H3/b7-6+
InChIKeyPCWOYHSZIGMCEP-VOTSOKGWSA-N
XLogP8.41
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.05
LogP ≤ 58.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-chlorophenyl)-6-naphthalen-2-yl-N-(quinolin-3-ylmethyl)hex-5-en-2-amine?
The IUPAC name of (E)-3-(4-chlorophenyl)-6-naphthalen-2-yl-N-(quinolin-3-ylmethyl)hex-5-en-2-amine (CID 19038653) is (E)-3-(4-chlorophenyl)-6-naphthalen-2-yl-N-(quinolin-3-ylmethyl)hex-5-en-2-amine.
What is the SMILES notation for (E)-3-(4-chlorophenyl)-6-naphthalen-2-yl-N-(quinolin-3-ylmethyl)hex-5-en-2-amine?
The canonical SMILES for (E)-3-(4-chlorophenyl)-6-naphthalen-2-yl-N-(quinolin-3-ylmethyl)hex-5-en-2-amine is CC(NCc1cnc2ccccc2c1)C(C/C=C/c1ccc2ccccc2c1)c1ccc(Cl)cc1.
What is the InChIKey of (E)-3-(4-chlorophenyl)-6-naphthalen-2-yl-N-(quinolin-3-ylmethyl)hex-5-en-2-amine?
The InChIKey is PCWOYHSZIGMCEP-VOTSOKGWSA-N. The full InChI is InChI=1S/C32H29ClN2/c1-23(34-21-25-20-29-10-4-5-12-32(29)35-22-25)31(27-15-17-30(33)18-16-27)11-6-7-24-13-14-26-8-2-3-9-28(26)19-24/h2-10,12-20,22-23,31,34H,11,21H2,1H3/b7-6+.
What are the key properties of (E)-3-(4-chlorophenyl)-6-naphthalen-2-yl-N-(quinolin-3-ylmethyl)hex-5-en-2-amine?
(E)-3-(4-chlorophenyl)-6-naphthalen-2-yl-N-(quinolin-3-ylmethyl)hex-5-en-2-amine has a molecular weight of 477.05 g/mol, XLogP of 8.41, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-chlorophenyl)-6-naphthalen-2-yl-N-(quinolin-3-ylmethyl)hex-5-en-2-amine is sourced from PubChem (CID 19038653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).