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

C25H22BrF2N5O — CID 59631098

IUPACN-(5-bromo-2-morpholin-4-yl-3-pyridinyl)-5,7-difluoro-N,3-dimethyl-2-pyridin-2-ylquinolin-4-amine
SMILESCc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1N(C)c1cc(Br)cnc1N1CCOCC1
InChIInChI=1S/C25H22BrF2N5O/c1-15-23(19-5-3-4-6-29-19)31-20-13-17(27)12-18(28)22(20)24(15)32(2)21-11-16(26)14-30-25(21)33-7-9-34-10-8-33/h3-6,11-14H,7-10H2,1-2H3
InChIKeyVSCRREUAVIZYDG-UHFFFAOYSA-N
MW526.39 g/mol
LogP5.65
Rot. Bonds4

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

N-(5-bromo-2-morpholin-4-yl-3-pyridinyl)-5,7-difluoro-N,3-dimethyl-2-pyridin-2-ylquinolin-4-amine (PubChem CID 59631098) has the molecular formula C25H22BrF2N5O and a molecular weight of 526.39 g/mol. Its IUPAC name is N-(5-bromo-2-morpholin-4-yl-3-pyridinyl)-5,7-difluoro-N,3-dimethyl-2-pyridin-2-ylquinolin-4-amine.

Molecular Properties

Compound NameN-(5-bromo-2-morpholin-4-yl-3-pyridinyl)-5,7-difluoro-N,3-dimethyl-2-pyridin-2-ylquinolin-4-amine
PubChem CID59631098
Molecular FormulaC25H22BrF2N5O
Molecular Weight526.39 g/mol
Exact Mass525.10
IUPAC NameN-(5-bromo-2-morpholin-4-yl-3-pyridinyl)-5,7-difluoro-N,3-dimethyl-2-pyridin-2-ylquinolin-4-amine
SMILESCc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1N(C)c1cc(Br)cnc1N1CCOCC1
InChIInChI=1S/C25H22BrF2N5O/c1-15-23(19-5-3-4-6-29-19)31-20-13-17(27)12-18(28)22(20)24(15)32(2)21-11-16(26)14-30-25(21)33-7-9-34-10-8-33/h3-6,11-14H,7-10H2,1-2H3
InChIKeyVSCRREUAVIZYDG-UHFFFAOYSA-N
XLogP5.65
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.39
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-(5-bromo-2-morpholin-4-yl-3-pyridinyl)-5,7-difluoro-N,3-dimethyl-2-pyridin-2-ylquinolin-4-amine with MolForge

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Related Compounds

Abt-702
CID 1973
4-[(3-Bromophenyl)amino]6-[(3-morpholinopropyl)amino]pyrido[3,4-d]pyrimidine
CID 5328361
4-N-(3-bromophenyl)-6-N-[2-(morpholin-4-yl)ethyl]pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328360
5-(2-Bromo-benzyl)-7-(6-morpholin-4-yl-pyridin-3-yl)-pyrido[2,3-d]pyrimidin-4-ylamine
CID 10005239
5-[1-(2-Bromo-phenyl)-ethyl]-7-(6-morpholin-4-yl-pyridin-3-yl)-pyrido[2,3-d]pyrimidin-4-ylamine
CID 10435708
2-(((2S,6R)-2,6-dimethylmorpholino)methyl)-7-(3-(trifluoromethyl)pyridin-2-yl)-N-(5-(trifluoromethyl)pyridin-2-yl)quinazolin-4-amine
CID 44587857
Pyrido[4,3-d]pyrimidine deriv. 3q
CID 5328311
Pyrido[4,3-d]pyrimidine deriv. 3r
CID 5328312
Pyrido[4,3-d]pyrimidine deriv. 3s
CID 5328313
4-N-(3-bromophenyl)-2-methyl-6-N-[2-(morpholin-4-yl)ethyl]pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328381
2-N-(2,4-difluorophenyl)-6-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-4-morpholin-4-ylpyrido[3,4-d]pyrimidine-2,6-diamine
CID 145971580
4-Morpholin-4-yl-2-pyridin-4-yl-quinazoline
CID 710951

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-morpholin-4-yl-3-pyridinyl)-5,7-difluoro-N,3-dimethyl-2-pyridin-2-ylquinolin-4-amine?
The IUPAC name of N-(5-bromo-2-morpholin-4-yl-3-pyridinyl)-5,7-difluoro-N,3-dimethyl-2-pyridin-2-ylquinolin-4-amine (CID 59631098) is N-(5-bromo-2-morpholin-4-yl-3-pyridinyl)-5,7-difluoro-N,3-dimethyl-2-pyridin-2-ylquinolin-4-amine.
What is the SMILES notation for N-(5-bromo-2-morpholin-4-yl-3-pyridinyl)-5,7-difluoro-N,3-dimethyl-2-pyridin-2-ylquinolin-4-amine?
The canonical SMILES for N-(5-bromo-2-morpholin-4-yl-3-pyridinyl)-5,7-difluoro-N,3-dimethyl-2-pyridin-2-ylquinolin-4-amine is Cc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1N(C)c1cc(Br)cnc1N1CCOCC1.
What is the InChIKey of N-(5-bromo-2-morpholin-4-yl-3-pyridinyl)-5,7-difluoro-N,3-dimethyl-2-pyridin-2-ylquinolin-4-amine?
The InChIKey is VSCRREUAVIZYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22BrF2N5O/c1-15-23(19-5-3-4-6-29-19)31-20-13-17(27)12-18(28)22(20)24(15)32(2)21-11-16(26)14-30-25(21)33-7-9-34-10-8-33/h3-6,11-14H,7-10H2,1-2H3.
What are the key properties of N-(5-bromo-2-morpholin-4-yl-3-pyridinyl)-5,7-difluoro-N,3-dimethyl-2-pyridin-2-ylquinolin-4-amine?
N-(5-bromo-2-morpholin-4-yl-3-pyridinyl)-5,7-difluoro-N,3-dimethyl-2-pyridin-2-ylquinolin-4-amine has a molecular weight of 526.39 g/mol, XLogP of 5.65, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-morpholin-4-yl-3-pyridinyl)-5,7-difluoro-N,3-dimethyl-2-pyridin-2-ylquinolin-4-amine is sourced from PubChem (CID 59631098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).