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

C28H29FN6O2 — CID 50905719

IUPACN-(2,5-dimorpholin-4-yl-3-pyridinyl)-7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
SMILESCc1c(-c2ccccn2)nc2cc(F)ccc2c1Nc1cc(N2CCOCC2)cnc1N1CCOCC1
InChIInChI=1S/C28H29FN6O2/c1-19-26(22-6-5-20(29)16-24(22)32-27(19)23-4-2-3-7-30-23)33-25-17-21(34-8-12-36-13-9-34)18-31-28(25)35-10-14-37-15-11-35/h2-7,16-18H,8-15H2,1H3,(H,32,33)
InChIKeyHCZAMDAHTGJICJ-UHFFFAOYSA-N
MW500.58 g/mol
LogP4.56
Rot. Bonds5

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

N-(2,5-dimorpholin-4-yl-3-pyridinyl)-7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine (PubChem CID 50905719) has the molecular formula C28H29FN6O2 and a molecular weight of 500.58 g/mol. Its IUPAC name is N-(2,5-dimorpholin-4-yl-3-pyridinyl)-7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine.

Molecular Properties

Compound NameN-(2,5-dimorpholin-4-yl-3-pyridinyl)-7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
PubChem CID50905719
Molecular FormulaC28H29FN6O2
Molecular Weight500.58 g/mol
Exact Mass500.23
IUPAC NameN-(2,5-dimorpholin-4-yl-3-pyridinyl)-7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
SMILESCc1c(-c2ccccn2)nc2cc(F)ccc2c1Nc1cc(N2CCOCC2)cnc1N1CCOCC1
InChIInChI=1S/C28H29FN6O2/c1-19-26(22-6-5-20(29)16-24(22)32-27(19)23-4-2-3-7-30-23)33-25-17-21(34-8-12-36-13-9-34)18-31-28(25)35-10-14-37-15-11-35/h2-7,16-18H,8-15H2,1H3,(H,32,33)
InChIKeyHCZAMDAHTGJICJ-UHFFFAOYSA-N
XLogP4.56
TPSA75.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.58
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimorpholin-4-yl-3-pyridinyl)-7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The IUPAC name of N-(2,5-dimorpholin-4-yl-3-pyridinyl)-7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine (CID 50905719) is N-(2,5-dimorpholin-4-yl-3-pyridinyl)-7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine.
What is the SMILES notation for N-(2,5-dimorpholin-4-yl-3-pyridinyl)-7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The canonical SMILES for N-(2,5-dimorpholin-4-yl-3-pyridinyl)-7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine is Cc1c(-c2ccccn2)nc2cc(F)ccc2c1Nc1cc(N2CCOCC2)cnc1N1CCOCC1.
What is the InChIKey of N-(2,5-dimorpholin-4-yl-3-pyridinyl)-7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The InChIKey is HCZAMDAHTGJICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29FN6O2/c1-19-26(22-6-5-20(29)16-24(22)32-27(19)23-4-2-3-7-30-23)33-25-17-21(34-8-12-36-13-9-34)18-31-28(25)35-10-14-37-15-11-35/h2-7,16-18H,8-15H2,1H3,(H,32,33).
What are the key properties of N-(2,5-dimorpholin-4-yl-3-pyridinyl)-7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?
N-(2,5-dimorpholin-4-yl-3-pyridinyl)-7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine has a molecular weight of 500.58 g/mol, XLogP of 4.56, 5 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)-7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine is sourced from PubChem (CID 50905719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).