6-chloro-N-(2-morpholin-4-ylethyl)-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-amine

C22H23ClN4O — CID 162661160

IUPAC6-chloro-N-(2-morpholin-4-ylethyl)-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-amine
SMILESClc1ccc2nc(/C=C/c3ccncc3)cc(NCCN3CCOCC3)c2c1
InChIInChI=1S/C22H23ClN4O/c23-18-2-4-21-20(15-18)22(25-9-10-27-11-13-28-14-12-27)16-19(26-21)3-1-17-5-7-24-8-6-17/h1-8,15-16H,9-14H2,(H,25,26)/b3-1+
InChIKeyGWSCKODZCLOGDA-HNQUOIGGSA-N
MW394.91 g/mol
LogP4.20
Rot. Bonds6

About 6-chloro-N-(2-morpholin-4-ylethyl)-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-amine

6-chloro-N-(2-morpholin-4-ylethyl)-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-amine (PubChem CID 162661160) has the molecular formula C22H23ClN4O and a molecular weight of 394.91 g/mol. Its IUPAC name is 6-chloro-N-(2-morpholin-4-ylethyl)-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(2-morpholin-4-ylethyl)-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-amine
PubChem CID162661160
Molecular FormulaC22H23ClN4O
Molecular Weight394.91 g/mol
Exact Mass394.16
IUPAC Name6-chloro-N-(2-morpholin-4-ylethyl)-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-amine
SMILESClc1ccc2nc(/C=C/c3ccncc3)cc(NCCN3CCOCC3)c2c1
InChIInChI=1S/C22H23ClN4O/c23-18-2-4-21-20(15-18)22(25-9-10-27-11-13-28-14-12-27)16-19(26-21)3-1-17-5-7-24-8-6-17/h1-8,15-16H,9-14H2,(H,25,26)/b3-1+
InChIKeyGWSCKODZCLOGDA-HNQUOIGGSA-N
XLogP4.20
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.91
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-morpholin-4-ylethyl)-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-amine?
The IUPAC name of 6-chloro-N-(2-morpholin-4-ylethyl)-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-amine (CID 162661160) is 6-chloro-N-(2-morpholin-4-ylethyl)-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-amine.
What is the SMILES notation for 6-chloro-N-(2-morpholin-4-ylethyl)-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-amine?
The canonical SMILES for 6-chloro-N-(2-morpholin-4-ylethyl)-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-amine is Clc1ccc2nc(/C=C/c3ccncc3)cc(NCCN3CCOCC3)c2c1.
What is the InChIKey of 6-chloro-N-(2-morpholin-4-ylethyl)-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-amine?
The InChIKey is GWSCKODZCLOGDA-HNQUOIGGSA-N. The full InChI is InChI=1S/C22H23ClN4O/c23-18-2-4-21-20(15-18)22(25-9-10-27-11-13-28-14-12-27)16-19(26-21)3-1-17-5-7-24-8-6-17/h1-8,15-16H,9-14H2,(H,25,26)/b3-1+.
What are the key properties of 6-chloro-N-(2-morpholin-4-ylethyl)-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-amine?
6-chloro-N-(2-morpholin-4-ylethyl)-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-amine has a molecular weight of 394.91 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-morpholin-4-ylethyl)-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-amine is sourced from PubChem (CID 162661160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).