N-(3-chloro-5-morpholin-4-ylphenyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine

C25H21ClF2N4O — CID 59631163

IUPACN-(3-chloro-5-morpholin-4-ylphenyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
SMILESCc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cc(Cl)cc(N2CCOCC2)c1
InChIInChI=1S/C25H21ClF2N4O/c1-15-24(21-4-2-3-5-29-21)31-22-13-17(27)12-20(28)23(22)25(15)30-18-10-16(26)11-19(14-18)32-6-8-33-9-7-32/h2-5,10-14H,6-9H2,1H3,(H,30,31)
InChIKeyMMNLJNMFFIYGEC-UHFFFAOYSA-N
MW466.92 g/mol
LogP6.12
Rot. Bonds4

About N-(3-chloro-5-morpholin-4-ylphenyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine

N-(3-chloro-5-morpholin-4-ylphenyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine (PubChem CID 59631163) has the molecular formula C25H21ClF2N4O and a molecular weight of 466.92 g/mol. Its IUPAC name is N-(3-chloro-5-morpholin-4-ylphenyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-5-morpholin-4-ylphenyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
PubChem CID59631163
Molecular FormulaC25H21ClF2N4O
Molecular Weight466.92 g/mol
Exact Mass466.14
IUPAC NameN-(3-chloro-5-morpholin-4-ylphenyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
SMILESCc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cc(Cl)cc(N2CCOCC2)c1
InChIInChI=1S/C25H21ClF2N4O/c1-15-24(21-4-2-3-5-29-21)31-22-13-17(27)12-20(28)23(22)25(15)30-18-10-16(26)11-19(14-18)32-6-8-33-9-7-32/h2-5,10-14H,6-9H2,1H3,(H,30,31)
InChIKeyMMNLJNMFFIYGEC-UHFFFAOYSA-N
XLogP6.12
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.92
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-5-morpholin-4-ylphenyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The IUPAC name of N-(3-chloro-5-morpholin-4-ylphenyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine (CID 59631163) is N-(3-chloro-5-morpholin-4-ylphenyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine.
What is the SMILES notation for N-(3-chloro-5-morpholin-4-ylphenyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The canonical SMILES for N-(3-chloro-5-morpholin-4-ylphenyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine is Cc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cc(Cl)cc(N2CCOCC2)c1.
What is the InChIKey of N-(3-chloro-5-morpholin-4-ylphenyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The InChIKey is MMNLJNMFFIYGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClF2N4O/c1-15-24(21-4-2-3-5-29-21)31-22-13-17(27)12-20(28)23(22)25(15)30-18-10-16(26)11-19(14-18)32-6-8-33-9-7-32/h2-5,10-14H,6-9H2,1H3,(H,30,31).
What are the key properties of N-(3-chloro-5-morpholin-4-ylphenyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?
N-(3-chloro-5-morpholin-4-ylphenyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine has a molecular weight of 466.92 g/mol, XLogP of 6.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-5-morpholin-4-ylphenyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine is sourced from PubChem (CID 59631163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).