N-(2,5-dimorpholin-4-ylphenyl)-6-fluoro-3-methyl-2-pyridin-3-ylquinolin-4-amine

C29H30FN5O2 — CID 50905051

IUPACN-(2,5-dimorpholin-4-ylphenyl)-6-fluoro-3-methyl-2-pyridin-3-ylquinolin-4-amine
SMILESCc1c(-c2cccnc2)nc2ccc(F)cc2c1Nc1cc(N2CCOCC2)ccc1N1CCOCC1
InChIInChI=1S/C29H30FN5O2/c1-20-28(21-3-2-8-31-19-21)32-25-6-4-22(30)17-24(25)29(20)33-26-18-23(34-9-13-36-14-10-34)5-7-27(26)35-11-15-37-16-12-35/h2-8,17-19H,9-16H2,1H3,(H,32,33)
InChIKeyZVXQLNNTPXCMCJ-UHFFFAOYSA-N
MW499.59 g/mol
LogP5.16
Rot. Bonds5

About N-(2,5-dimorpholin-4-ylphenyl)-6-fluoro-3-methyl-2-pyridin-3-ylquinolin-4-amine

N-(2,5-dimorpholin-4-ylphenyl)-6-fluoro-3-methyl-2-pyridin-3-ylquinolin-4-amine (PubChem CID 50905051) has the molecular formula C29H30FN5O2 and a molecular weight of 499.59 g/mol. Its IUPAC name is N-(2,5-dimorpholin-4-ylphenyl)-6-fluoro-3-methyl-2-pyridin-3-ylquinolin-4-amine.

Molecular Properties

Compound NameN-(2,5-dimorpholin-4-ylphenyl)-6-fluoro-3-methyl-2-pyridin-3-ylquinolin-4-amine
PubChem CID50905051
Molecular FormulaC29H30FN5O2
Molecular Weight499.59 g/mol
Exact Mass499.24
IUPAC NameN-(2,5-dimorpholin-4-ylphenyl)-6-fluoro-3-methyl-2-pyridin-3-ylquinolin-4-amine
SMILESCc1c(-c2cccnc2)nc2ccc(F)cc2c1Nc1cc(N2CCOCC2)ccc1N1CCOCC1
InChIInChI=1S/C29H30FN5O2/c1-20-28(21-3-2-8-31-19-21)32-25-6-4-22(30)17-24(25)29(20)33-26-18-23(34-9-13-36-14-10-34)5-7-27(26)35-11-15-37-16-12-35/h2-8,17-19H,9-16H2,1H3,(H,32,33)
InChIKeyZVXQLNNTPXCMCJ-UHFFFAOYSA-N
XLogP5.16
TPSA62.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.59
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimorpholin-4-ylphenyl)-6-fluoro-3-methyl-2-pyridin-3-ylquinolin-4-amine?
The IUPAC name of N-(2,5-dimorpholin-4-ylphenyl)-6-fluoro-3-methyl-2-pyridin-3-ylquinolin-4-amine (CID 50905051) is N-(2,5-dimorpholin-4-ylphenyl)-6-fluoro-3-methyl-2-pyridin-3-ylquinolin-4-amine.
What is the SMILES notation for N-(2,5-dimorpholin-4-ylphenyl)-6-fluoro-3-methyl-2-pyridin-3-ylquinolin-4-amine?
The canonical SMILES for N-(2,5-dimorpholin-4-ylphenyl)-6-fluoro-3-methyl-2-pyridin-3-ylquinolin-4-amine is Cc1c(-c2cccnc2)nc2ccc(F)cc2c1Nc1cc(N2CCOCC2)ccc1N1CCOCC1.
What is the InChIKey of N-(2,5-dimorpholin-4-ylphenyl)-6-fluoro-3-methyl-2-pyridin-3-ylquinolin-4-amine?
The InChIKey is ZVXQLNNTPXCMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30FN5O2/c1-20-28(21-3-2-8-31-19-21)32-25-6-4-22(30)17-24(25)29(20)33-26-18-23(34-9-13-36-14-10-34)5-7-27(26)35-11-15-37-16-12-35/h2-8,17-19H,9-16H2,1H3,(H,32,33).
What are the key properties of N-(2,5-dimorpholin-4-ylphenyl)-6-fluoro-3-methyl-2-pyridin-3-ylquinolin-4-amine?
N-(2,5-dimorpholin-4-ylphenyl)-6-fluoro-3-methyl-2-pyridin-3-ylquinolin-4-amine has a molecular weight of 499.59 g/mol, XLogP of 5.16, 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-ylphenyl)-6-fluoro-3-methyl-2-pyridin-3-ylquinolin-4-amine is sourced from PubChem (CID 50905051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).