8-chloro-3-methyl-N-(5-morpholin-4-yl-3-pyridinyl)-2-pyridin-2-ylquinolin-4-amine

C48H44Cl2N10O2 — CID 67508376

IUPAC8-chloro-3-methyl-N-(5-morpholin-4-yl-3-pyridinyl)-2-pyridin-2-ylquinolin-4-amine
SMILESCc1c(-c2ccccn2)nc2c(Cl)cccc2c1Nc1cncc(N2CCOCC2)c1.Cc1c(-c2ccccn2)nc2c(Cl)cccc2c1Nc1cncc(N2CCOCC2)c1
InChIInChI=1S/2C24H22ClN5O/c2*1-16-22(28-17-13-18(15-26-14-17)30-9-11-31-12-10-30)19-5-4-6-20(25)24(19)29-23(16)21-7-2-3-8-27-21/h2*2-8,13-15H,9-12H2,1H3,(H,28,29)
InChIKeyPMEUDZVTLMAFGQ-UHFFFAOYSA-N
MW863.85 g/mol
LogP10.47
Rot. Bonds8

About 8-chloro-3-methyl-N-(5-morpholin-4-yl-3-pyridinyl)-2-pyridin-2-ylquinolin-4-amine

8-chloro-3-methyl-N-(5-morpholin-4-yl-3-pyridinyl)-2-pyridin-2-ylquinolin-4-amine (PubChem CID 67508376) has the molecular formula C48H44Cl2N10O2 and a molecular weight of 863.85 g/mol. Its IUPAC name is 8-chloro-3-methyl-N-(5-morpholin-4-yl-3-pyridinyl)-2-pyridin-2-ylquinolin-4-amine.

Molecular Properties

Compound Name8-chloro-3-methyl-N-(5-morpholin-4-yl-3-pyridinyl)-2-pyridin-2-ylquinolin-4-amine
PubChem CID67508376
Molecular FormulaC48H44Cl2N10O2
Molecular Weight863.85 g/mol
Exact Mass862.30
IUPAC Name8-chloro-3-methyl-N-(5-morpholin-4-yl-3-pyridinyl)-2-pyridin-2-ylquinolin-4-amine
SMILESCc1c(-c2ccccn2)nc2c(Cl)cccc2c1Nc1cncc(N2CCOCC2)c1.Cc1c(-c2ccccn2)nc2c(Cl)cccc2c1Nc1cncc(N2CCOCC2)c1
InChIInChI=1S/2C24H22ClN5O/c2*1-16-22(28-17-13-18(15-26-14-17)30-9-11-31-12-10-30)19-5-4-6-20(25)24(19)29-23(16)21-7-2-3-8-27-21/h2*2-8,13-15H,9-12H2,1H3,(H,28,29)
InChIKeyPMEUDZVTLMAFGQ-UHFFFAOYSA-N
XLogP10.47
TPSA126.34 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500863.85
LogP ≤ 510.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-methyl-N-(5-morpholin-4-yl-3-pyridinyl)-2-pyridin-2-ylquinolin-4-amine?
The IUPAC name of 8-chloro-3-methyl-N-(5-morpholin-4-yl-3-pyridinyl)-2-pyridin-2-ylquinolin-4-amine (CID 67508376) is 8-chloro-3-methyl-N-(5-morpholin-4-yl-3-pyridinyl)-2-pyridin-2-ylquinolin-4-amine.
What is the SMILES notation for 8-chloro-3-methyl-N-(5-morpholin-4-yl-3-pyridinyl)-2-pyridin-2-ylquinolin-4-amine?
The canonical SMILES for 8-chloro-3-methyl-N-(5-morpholin-4-yl-3-pyridinyl)-2-pyridin-2-ylquinolin-4-amine is Cc1c(-c2ccccn2)nc2c(Cl)cccc2c1Nc1cncc(N2CCOCC2)c1.Cc1c(-c2ccccn2)nc2c(Cl)cccc2c1Nc1cncc(N2CCOCC2)c1.
What is the InChIKey of 8-chloro-3-methyl-N-(5-morpholin-4-yl-3-pyridinyl)-2-pyridin-2-ylquinolin-4-amine?
The InChIKey is PMEUDZVTLMAFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H22ClN5O/c2*1-16-22(28-17-13-18(15-26-14-17)30-9-11-31-12-10-30)19-5-4-6-20(25)24(19)29-23(16)21-7-2-3-8-27-21/h2*2-8,13-15H,9-12H2,1H3,(H,28,29).
What are the key properties of 8-chloro-3-methyl-N-(5-morpholin-4-yl-3-pyridinyl)-2-pyridin-2-ylquinolin-4-amine?
8-chloro-3-methyl-N-(5-morpholin-4-yl-3-pyridinyl)-2-pyridin-2-ylquinolin-4-amine has a molecular weight of 863.85 g/mol, XLogP of 10.47, 8 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-methyl-N-(5-morpholin-4-yl-3-pyridinyl)-2-pyridin-2-ylquinolin-4-amine is sourced from PubChem (CID 67508376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).