N-(2,5-dimorpholin-4-yl-3-pyridinyl)-3-ethyl-5,7-difluoro-2-pyridin-2-ylquinolin-4-amine

C29H30F2N6O2 — CID 50906359

IUPACN-(2,5-dimorpholin-4-yl-3-pyridinyl)-3-ethyl-5,7-difluoro-2-pyridin-2-ylquinolin-4-amine
SMILESCCc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)cnc1N1CCOCC1
InChIInChI=1S/C29H30F2N6O2/c1-2-21-27(23-5-3-4-6-32-23)34-24-16-19(30)15-22(31)26(24)28(21)35-25-17-20(36-7-11-38-12-8-36)18-33-29(25)37-9-13-39-14-10-37/h3-6,15-18H,2,7-14H2,1H3,(H,34,35)
InChIKeyHDRXCHAUVYJRLW-UHFFFAOYSA-N
MW532.60 g/mol
LogP4.95
Rot. Bonds6

About N-(2,5-dimorpholin-4-yl-3-pyridinyl)-3-ethyl-5,7-difluoro-2-pyridin-2-ylquinolin-4-amine

N-(2,5-dimorpholin-4-yl-3-pyridinyl)-3-ethyl-5,7-difluoro-2-pyridin-2-ylquinolin-4-amine (PubChem CID 50906359) has the molecular formula C29H30F2N6O2 and a molecular weight of 532.60 g/mol. Its IUPAC name is N-(2,5-dimorpholin-4-yl-3-pyridinyl)-3-ethyl-5,7-difluoro-2-pyridin-2-ylquinolin-4-amine.

Molecular Properties

Compound NameN-(2,5-dimorpholin-4-yl-3-pyridinyl)-3-ethyl-5,7-difluoro-2-pyridin-2-ylquinolin-4-amine
PubChem CID50906359
Molecular FormulaC29H30F2N6O2
Molecular Weight532.60 g/mol
Exact Mass532.24
IUPAC NameN-(2,5-dimorpholin-4-yl-3-pyridinyl)-3-ethyl-5,7-difluoro-2-pyridin-2-ylquinolin-4-amine
SMILESCCc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)cnc1N1CCOCC1
InChIInChI=1S/C29H30F2N6O2/c1-2-21-27(23-5-3-4-6-32-23)34-24-16-19(30)15-22(31)26(24)28(21)35-25-17-20(36-7-11-38-12-8-36)18-33-29(25)37-9-13-39-14-10-37/h3-6,15-18H,2,7-14H2,1H3,(H,34,35)
InChIKeyHDRXCHAUVYJRLW-UHFFFAOYSA-N
XLogP4.95
TPSA75.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.60
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(2,5-dimorpholin-4-yl-3-pyridinyl)-3-ethyl-5,7-difluoro-2-pyridin-2-ylquinolin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimorpholin-4-yl-3-pyridinyl)-3-ethyl-5,7-difluoro-2-pyridin-2-ylquinolin-4-amine?
The IUPAC name of N-(2,5-dimorpholin-4-yl-3-pyridinyl)-3-ethyl-5,7-difluoro-2-pyridin-2-ylquinolin-4-amine (CID 50906359) is N-(2,5-dimorpholin-4-yl-3-pyridinyl)-3-ethyl-5,7-difluoro-2-pyridin-2-ylquinolin-4-amine.
What is the SMILES notation for N-(2,5-dimorpholin-4-yl-3-pyridinyl)-3-ethyl-5,7-difluoro-2-pyridin-2-ylquinolin-4-amine?
The canonical SMILES for N-(2,5-dimorpholin-4-yl-3-pyridinyl)-3-ethyl-5,7-difluoro-2-pyridin-2-ylquinolin-4-amine is CCc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)cnc1N1CCOCC1.
What is the InChIKey of N-(2,5-dimorpholin-4-yl-3-pyridinyl)-3-ethyl-5,7-difluoro-2-pyridin-2-ylquinolin-4-amine?
The InChIKey is HDRXCHAUVYJRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30F2N6O2/c1-2-21-27(23-5-3-4-6-32-23)34-24-16-19(30)15-22(31)26(24)28(21)35-25-17-20(36-7-11-38-12-8-36)18-33-29(25)37-9-13-39-14-10-37/h3-6,15-18H,2,7-14H2,1H3,(H,34,35).
What are the key properties of N-(2,5-dimorpholin-4-yl-3-pyridinyl)-3-ethyl-5,7-difluoro-2-pyridin-2-ylquinolin-4-amine?
N-(2,5-dimorpholin-4-yl-3-pyridinyl)-3-ethyl-5,7-difluoro-2-pyridin-2-ylquinolin-4-amine has a molecular weight of 532.60 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimorpholin-4-yl-3-pyridinyl)-3-ethyl-5,7-difluoro-2-pyridin-2-ylquinolin-4-amine is sourced from PubChem (CID 50906359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).