7-chloro-6-[[[1-[2-(6,8-difluoroquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

C24H24ClF2N5O2 — CID 44536602

IUPAC7-chloro-6-[[[1-[2-(6,8-difluoroquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESO=C1COc2cc(Cl)c(CNC3CCN(CCc4ccnc5c(F)cc(F)cc45)CC3)nc2N1
InChIInChI=1S/C24H24ClF2N5O2/c25-18-11-21-24(31-22(33)13-34-21)30-20(18)12-29-16-3-7-32(8-4-16)6-2-14-1-5-28-23-17(14)9-15(26)10-19(23)27/h1,5,9-11,16,29H,2-4,6-8,12-13H2,(H,30,31,33)
InChIKeyUQEWAHTXYDCLNJ-UHFFFAOYSA-N
MW487.94 g/mol
LogP3.69
Rot. Bonds6

About 7-chloro-6-[[[1-[2-(6,8-difluoroquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

7-chloro-6-[[[1-[2-(6,8-difluoroquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 44536602) has the molecular formula C24H24ClF2N5O2 and a molecular weight of 487.94 g/mol. Its IUPAC name is 7-chloro-6-[[[1-[2-(6,8-difluoroquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name7-chloro-6-[[[1-[2-(6,8-difluoroquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID44536602
Molecular FormulaC24H24ClF2N5O2
Molecular Weight487.94 g/mol
Exact Mass487.16
IUPAC Name7-chloro-6-[[[1-[2-(6,8-difluoroquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESO=C1COc2cc(Cl)c(CNC3CCN(CCc4ccnc5c(F)cc(F)cc45)CC3)nc2N1
InChIInChI=1S/C24H24ClF2N5O2/c25-18-11-21-24(31-22(33)13-34-21)30-20(18)12-29-16-3-7-32(8-4-16)6-2-14-1-5-28-23-17(14)9-15(26)10-19(23)27/h1,5,9-11,16,29H,2-4,6-8,12-13H2,(H,30,31,33)
InChIKeyUQEWAHTXYDCLNJ-UHFFFAOYSA-N
XLogP3.69
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.94
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-chloro-6-[[[1-[2-(6,8-difluoroquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one with MolForge

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Launch Full Analysis

Related Compounds

7-chloro-6-[(piperidin-4-ylamino)methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 70883894
7-chloro-6-[[[1-[[(3R)-5-fluoro-11-oxo-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-3-yl]methyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 24872731
6-[[[(3S,4S)-1-[2-(6,8-difluoroquinolin-4-yl)ethyl]-3-fluoropiperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
CID 68568039
7-fluoro-5-[2-[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]piperidin-1-yl]ethyl]-[1,3]oxazolo[4,5-c]quinolin-4-one
CID 118868402
7-chloro-6-[(cyclohexylamino)methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;7-methoxy-1-propyl-1,5-naphthyridin-2-one
CID 143612671
7-fluoro-2-oxo-1-[2-[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]piperidin-1-yl]ethyl]quinoline-5-carbonitrile
CID 15982800
7-chloro-6-[[[(3S,4S)-1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]-4-hydroxypyrrolidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 25032456
6-[[[1-[2-(8-chloro-3-methylpyrazolo[4,5-f]quinolin-9-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-1,4-benzoxazin-3-one;hydrochloride
CID 44529509
6-[[[(3S)-1-[2-(7-fluoro-2-oxo-1H-quinolin-3-yl)ethyl]pyrrolidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 91333276
6-[2-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]-4H-1,4-benzoxazin-3-one
CID 10023495
6-[[[(3R,4S)-1-[2-(7-fluoro-2-oxo-1H-quinolin-3-yl)ethyl]-4-hydroxypiperidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 91525427
6-[[[1-[(5-fluoro-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl)methyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 24890996

Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-[[[1-[2-(6,8-difluoroquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 7-chloro-6-[[[1-[2-(6,8-difluoroquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 44536602) is 7-chloro-6-[[[1-[2-(6,8-difluoroquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 7-chloro-6-[[[1-[2-(6,8-difluoroquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 7-chloro-6-[[[1-[2-(6,8-difluoroquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is O=C1COc2cc(Cl)c(CNC3CCN(CCc4ccnc5c(F)cc(F)cc45)CC3)nc2N1.
What is the InChIKey of 7-chloro-6-[[[1-[2-(6,8-difluoroquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is UQEWAHTXYDCLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClF2N5O2/c25-18-11-21-24(31-22(33)13-34-21)30-20(18)12-29-16-3-7-32(8-4-16)6-2-14-1-5-28-23-17(14)9-15(26)10-19(23)27/h1,5,9-11,16,29H,2-4,6-8,12-13H2,(H,30,31,33).
What are the key properties of 7-chloro-6-[[[1-[2-(6,8-difluoroquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
7-chloro-6-[[[1-[2-(6,8-difluoroquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 487.94 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-[[[1-[2-(6,8-difluoroquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 44536602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).