N-(2,5-dimorpholin-4-yl-3-pyridinyl)-7-fluoro-2-(2-fluorophenyl)-3-methylquinolin-4-amine

C29H29F2N5O2 — CID 50905718

IUPACN-(2,5-dimorpholin-4-yl-3-pyridinyl)-7-fluoro-2-(2-fluorophenyl)-3-methylquinolin-4-amine
SMILESCc1c(-c2ccccc2F)nc2cc(F)ccc2c1Nc1cc(N2CCOCC2)cnc1N1CCOCC1
InChIInChI=1S/C29H29F2N5O2/c1-19-27(22-4-2-3-5-24(22)31)33-25-16-20(30)6-7-23(25)28(19)34-26-17-21(35-8-12-37-13-9-35)18-32-29(26)36-10-14-38-15-11-36/h2-7,16-18H,8-15H2,1H3,(H,33,34)
InChIKeyXWQRQNFDMNHVGN-UHFFFAOYSA-N
MW517.58 g/mol
LogP5.30
Rot. Bonds5

About N-(2,5-dimorpholin-4-yl-3-pyridinyl)-7-fluoro-2-(2-fluorophenyl)-3-methylquinolin-4-amine

N-(2,5-dimorpholin-4-yl-3-pyridinyl)-7-fluoro-2-(2-fluorophenyl)-3-methylquinolin-4-amine (PubChem CID 50905718) has the molecular formula C29H29F2N5O2 and a molecular weight of 517.58 g/mol. Its IUPAC name is N-(2,5-dimorpholin-4-yl-3-pyridinyl)-7-fluoro-2-(2-fluorophenyl)-3-methylquinolin-4-amine.

Molecular Properties

Compound NameN-(2,5-dimorpholin-4-yl-3-pyridinyl)-7-fluoro-2-(2-fluorophenyl)-3-methylquinolin-4-amine
PubChem CID50905718
Molecular FormulaC29H29F2N5O2
Molecular Weight517.58 g/mol
Exact Mass517.23
IUPAC NameN-(2,5-dimorpholin-4-yl-3-pyridinyl)-7-fluoro-2-(2-fluorophenyl)-3-methylquinolin-4-amine
SMILESCc1c(-c2ccccc2F)nc2cc(F)ccc2c1Nc1cc(N2CCOCC2)cnc1N1CCOCC1
InChIInChI=1S/C29H29F2N5O2/c1-19-27(22-4-2-3-5-24(22)31)33-25-16-20(30)6-7-23(25)28(19)34-26-17-21(35-8-12-37-13-9-35)18-32-29(26)36-10-14-38-15-11-36/h2-7,16-18H,8-15H2,1H3,(H,33,34)
InChIKeyXWQRQNFDMNHVGN-UHFFFAOYSA-N
XLogP5.30
TPSA62.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.58
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimorpholin-4-yl-3-pyridinyl)-7-fluoro-2-(2-fluorophenyl)-3-methylquinolin-4-amine?
The IUPAC name of N-(2,5-dimorpholin-4-yl-3-pyridinyl)-7-fluoro-2-(2-fluorophenyl)-3-methylquinolin-4-amine (CID 50905718) is N-(2,5-dimorpholin-4-yl-3-pyridinyl)-7-fluoro-2-(2-fluorophenyl)-3-methylquinolin-4-amine.
What is the SMILES notation for N-(2,5-dimorpholin-4-yl-3-pyridinyl)-7-fluoro-2-(2-fluorophenyl)-3-methylquinolin-4-amine?
The canonical SMILES for N-(2,5-dimorpholin-4-yl-3-pyridinyl)-7-fluoro-2-(2-fluorophenyl)-3-methylquinolin-4-amine is Cc1c(-c2ccccc2F)nc2cc(F)ccc2c1Nc1cc(N2CCOCC2)cnc1N1CCOCC1.
What is the InChIKey of N-(2,5-dimorpholin-4-yl-3-pyridinyl)-7-fluoro-2-(2-fluorophenyl)-3-methylquinolin-4-amine?
The InChIKey is XWQRQNFDMNHVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29F2N5O2/c1-19-27(22-4-2-3-5-24(22)31)33-25-16-20(30)6-7-23(25)28(19)34-26-17-21(35-8-12-37-13-9-35)18-32-29(26)36-10-14-38-15-11-36/h2-7,16-18H,8-15H2,1H3,(H,33,34).
What are the key properties of N-(2,5-dimorpholin-4-yl-3-pyridinyl)-7-fluoro-2-(2-fluorophenyl)-3-methylquinolin-4-amine?
N-(2,5-dimorpholin-4-yl-3-pyridinyl)-7-fluoro-2-(2-fluorophenyl)-3-methylquinolin-4-amine has a molecular weight of 517.58 g/mol, XLogP of 5.30, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimorpholin-4-yl-3-pyridinyl)-7-fluoro-2-(2-fluorophenyl)-3-methylquinolin-4-amine is sourced from PubChem (CID 50905718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).