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

C25H28ClN5O3 — CID 10054157

IUPAC6-[[[1-[2-(3-chloro-6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCOc1ccc2ncc(Cl)c(CCN3CCC(NCc4ccc5c(n4)NC(=O)CO5)CC3)c2c1
InChIInChI=1S/C25H28ClN5O3/c1-33-18-3-4-22-20(12-18)19(21(26)14-28-22)8-11-31-9-6-16(7-10-31)27-13-17-2-5-23-25(29-17)30-24(32)15-34-23/h2-5,12,14,16,27H,6-11,13,15H2,1H3,(H,29,30,32)
InChIKeyIHNCUHRMIWBMFV-UHFFFAOYSA-N
MW481.98 g/mol
LogP3.42
Rot. Bonds7

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

6-[[[1-[2-(3-chloro-6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 10054157) has the molecular formula C25H28ClN5O3 and a molecular weight of 481.98 g/mol. Its IUPAC name is 6-[[[1-[2-(3-chloro-6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name6-[[[1-[2-(3-chloro-6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID10054157
Molecular FormulaC25H28ClN5O3
Molecular Weight481.98 g/mol
Exact Mass481.19
IUPAC Name6-[[[1-[2-(3-chloro-6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCOc1ccc2ncc(Cl)c(CCN3CCC(NCc4ccc5c(n4)NC(=O)CO5)CC3)c2c1
InChIInChI=1S/C25H28ClN5O3/c1-33-18-3-4-22-20(12-18)19(21(26)14-28-22)8-11-31-9-6-16(7-10-31)27-13-17-2-5-23-25(29-17)30-24(32)15-34-23/h2-5,12,14,16,27H,6-11,13,15H2,1H3,(H,29,30,32)
InChIKeyIHNCUHRMIWBMFV-UHFFFAOYSA-N
XLogP3.42
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.98
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

(E)-3-(6-acetamidopyridin-3-yl)-N-[2-[2,4-dichloro-N-methyl-3-[(2-methylquinolin-8-yl)oxymethyl]anilino]-2-oxoethyl]prop-2-enamide
CID 5311108
6-[[[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 10256734
6-[[[1-[2-(3,7-difluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 71152871
HG-9-91-01 derivative, 6
CID 121596783
2-methyl-8-[2-[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]-2-oxabicyclo[2.2.2]octan-1-yl]ethyl]-1,5-naphthyridine-3-carbonitrile
CID 118736045
6-[[[1-[2-[6-(trifluoromethyl)-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 118736051
6-[[[1-[2-[7-(trifluoromethyl)-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 118736052
(E)-3-(6-Acetylamino-pyridin-3-yl)-N-({[2,4-dichloro-3-(2-methyl-4-morpholin-4-yl-quinolin-8-yloxymethyl)-phenyl]-methyl-carbamoyl}-methyl)-acrylamide
CID 11204664
N-[3-Chloro-4-(pyridin-2-ylmethoxy)phenyl]-5-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]quinazolin-4-amine
CID 11562650
6-[[[(3R,6S)-6-[(1R)-1-amino-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 25129265
6-[[[(3R,6S)-6-[(1S)-1-amino-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 25129266
6-[[[(3R,6S)-6-[(1S)-1-amino-2-(7-fluoro-2-methoxyquinolin-8-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 25129956

Frequently Asked Questions

What is the IUPAC name of 6-[[[1-[2-(3-chloro-6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 6-[[[1-[2-(3-chloro-6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 10054157) is 6-[[[1-[2-(3-chloro-6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 6-[[[1-[2-(3-chloro-6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 6-[[[1-[2-(3-chloro-6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is COc1ccc2ncc(Cl)c(CCN3CCC(NCc4ccc5c(n4)NC(=O)CO5)CC3)c2c1.
What is the InChIKey of 6-[[[1-[2-(3-chloro-6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is IHNCUHRMIWBMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN5O3/c1-33-18-3-4-22-20(12-18)19(21(26)14-28-22)8-11-31-9-6-16(7-10-31)27-13-17-2-5-23-25(29-17)30-24(32)15-34-23/h2-5,12,14,16,27H,6-11,13,15H2,1H3,(H,29,30,32).
What are the key properties of 6-[[[1-[2-(3-chloro-6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
6-[[[1-[2-(3-chloro-6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 481.98 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[1-[2-(3-chloro-6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 10054157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).