8-chloro-7-fluoro-N-[5-(5-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine

C30H26ClFN6O2 — CID 66631686

IUPAC8-chloro-7-fluoro-N-[5-(5-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine
SMILESCOc1cncc(-c2cnc(N3CCOCC3)cc2Nc2c(C)c(-c3ccccn3)nc3c(Cl)c(F)ccc23)c1
InChIInChI=1S/C30H26ClFN6O2/c1-18-28(21-6-7-23(32)27(31)30(21)37-29(18)24-5-3-4-8-34-24)36-25-14-26(38-9-11-40-12-10-38)35-17-22(25)19-13-20(39-2)16-33-15-19/h3-8,13-17H,9-12H2,1-2H3,(H,35,36,37)
InChIKeyOITZLBMVXUCZHR-UHFFFAOYSA-N
MW557.03 g/mol
LogP6.44
Rot. Bonds6

About 8-chloro-7-fluoro-N-[5-(5-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine

8-chloro-7-fluoro-N-[5-(5-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine (PubChem CID 66631686) has the molecular formula C30H26ClFN6O2 and a molecular weight of 557.03 g/mol. Its IUPAC name is 8-chloro-7-fluoro-N-[5-(5-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine.

Molecular Properties

Compound Name8-chloro-7-fluoro-N-[5-(5-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine
PubChem CID66631686
Molecular FormulaC30H26ClFN6O2
Molecular Weight557.03 g/mol
Exact Mass556.18
IUPAC Name8-chloro-7-fluoro-N-[5-(5-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine
SMILESCOc1cncc(-c2cnc(N3CCOCC3)cc2Nc2c(C)c(-c3ccccn3)nc3c(Cl)c(F)ccc23)c1
InChIInChI=1S/C30H26ClFN6O2/c1-18-28(21-6-7-23(32)27(31)30(21)37-29(18)24-5-3-4-8-34-24)36-25-14-26(38-9-11-40-12-10-38)35-17-22(25)19-13-20(39-2)16-33-15-19/h3-8,13-17H,9-12H2,1-2H3,(H,35,36,37)
InChIKeyOITZLBMVXUCZHR-UHFFFAOYSA-N
XLogP6.44
TPSA85.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.03
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-7-fluoro-N-[5-(5-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The IUPAC name of 8-chloro-7-fluoro-N-[5-(5-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine (CID 66631686) is 8-chloro-7-fluoro-N-[5-(5-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine.
What is the SMILES notation for 8-chloro-7-fluoro-N-[5-(5-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The canonical SMILES for 8-chloro-7-fluoro-N-[5-(5-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine is COc1cncc(-c2cnc(N3CCOCC3)cc2Nc2c(C)c(-c3ccccn3)nc3c(Cl)c(F)ccc23)c1.
What is the InChIKey of 8-chloro-7-fluoro-N-[5-(5-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The InChIKey is OITZLBMVXUCZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26ClFN6O2/c1-18-28(21-6-7-23(32)27(31)30(21)37-29(18)24-5-3-4-8-34-24)36-25-14-26(38-9-11-40-12-10-38)35-17-22(25)19-13-20(39-2)16-33-15-19/h3-8,13-17H,9-12H2,1-2H3,(H,35,36,37).
What are the key properties of 8-chloro-7-fluoro-N-[5-(5-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine?
8-chloro-7-fluoro-N-[5-(5-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine has a molecular weight of 557.03 g/mol, XLogP of 6.44, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-7-fluoro-N-[5-(5-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine is sourced from PubChem (CID 66631686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).