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

C26H25F2N5O — CID 59631304

IUPACN-ethyl-5,7-difluoro-3-methyl-N-(5-morpholin-4-yl-3-pyridinyl)-2-pyridin-2-ylquinolin-4-amine
SMILESCCN(c1cncc(N2CCOCC2)c1)c1c(C)c(-c2ccccn2)nc2cc(F)cc(F)c12
InChIInChI=1S/C26H25F2N5O/c1-3-33(20-14-19(15-29-16-20)32-8-10-34-11-9-32)26-17(2)25(22-6-4-5-7-30-22)31-23-13-18(27)12-21(28)24(23)26/h4-7,12-16H,3,8-11H2,1-2H3
InChIKeyVUNUMGXZPYIBDS-UHFFFAOYSA-N
MW461.52 g/mol
LogP5.27
Rot. Bonds5

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

N-ethyl-5,7-difluoro-3-methyl-N-(5-morpholin-4-yl-3-pyridinyl)-2-pyridin-2-ylquinolin-4-amine (PubChem CID 59631304) has the molecular formula C26H25F2N5O and a molecular weight of 461.52 g/mol. Its IUPAC name is N-ethyl-5,7-difluoro-3-methyl-N-(5-morpholin-4-yl-3-pyridinyl)-2-pyridin-2-ylquinolin-4-amine.

Molecular Properties

Compound NameN-ethyl-5,7-difluoro-3-methyl-N-(5-morpholin-4-yl-3-pyridinyl)-2-pyridin-2-ylquinolin-4-amine
PubChem CID59631304
Molecular FormulaC26H25F2N5O
Molecular Weight461.52 g/mol
Exact Mass461.20
IUPAC NameN-ethyl-5,7-difluoro-3-methyl-N-(5-morpholin-4-yl-3-pyridinyl)-2-pyridin-2-ylquinolin-4-amine
SMILESCCN(c1cncc(N2CCOCC2)c1)c1c(C)c(-c2ccccn2)nc2cc(F)cc(F)c12
InChIInChI=1S/C26H25F2N5O/c1-3-33(20-14-19(15-29-16-20)32-8-10-34-11-9-32)26-17(2)25(22-6-4-5-7-30-22)31-23-13-18(27)12-21(28)24(23)26/h4-7,12-16H,3,8-11H2,1-2H3
InChIKeyVUNUMGXZPYIBDS-UHFFFAOYSA-N
XLogP5.27
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.52
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5,7-difluoro-3-methyl-N-(5-morpholin-4-yl-3-pyridinyl)-2-pyridin-2-ylquinolin-4-amine?
The IUPAC name of N-ethyl-5,7-difluoro-3-methyl-N-(5-morpholin-4-yl-3-pyridinyl)-2-pyridin-2-ylquinolin-4-amine (CID 59631304) is N-ethyl-5,7-difluoro-3-methyl-N-(5-morpholin-4-yl-3-pyridinyl)-2-pyridin-2-ylquinolin-4-amine.
What is the SMILES notation for N-ethyl-5,7-difluoro-3-methyl-N-(5-morpholin-4-yl-3-pyridinyl)-2-pyridin-2-ylquinolin-4-amine?
The canonical SMILES for N-ethyl-5,7-difluoro-3-methyl-N-(5-morpholin-4-yl-3-pyridinyl)-2-pyridin-2-ylquinolin-4-amine is CCN(c1cncc(N2CCOCC2)c1)c1c(C)c(-c2ccccn2)nc2cc(F)cc(F)c12.
What is the InChIKey of N-ethyl-5,7-difluoro-3-methyl-N-(5-morpholin-4-yl-3-pyridinyl)-2-pyridin-2-ylquinolin-4-amine?
The InChIKey is VUNUMGXZPYIBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F2N5O/c1-3-33(20-14-19(15-29-16-20)32-8-10-34-11-9-32)26-17(2)25(22-6-4-5-7-30-22)31-23-13-18(27)12-21(28)24(23)26/h4-7,12-16H,3,8-11H2,1-2H3.
What are the key properties of N-ethyl-5,7-difluoro-3-methyl-N-(5-morpholin-4-yl-3-pyridinyl)-2-pyridin-2-ylquinolin-4-amine?
N-ethyl-5,7-difluoro-3-methyl-N-(5-morpholin-4-yl-3-pyridinyl)-2-pyridin-2-ylquinolin-4-amine has a molecular weight of 461.52 g/mol, XLogP of 5.27, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5,7-difluoro-3-methyl-N-(5-morpholin-4-yl-3-pyridinyl)-2-pyridin-2-ylquinolin-4-amine is sourced from PubChem (CID 59631304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).