6-[[[(3R,6S)-6-[(1S)-1-amino-2-(7-methoxy-2-oxoquinolin-1-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

C25H29N5O5 — CID 44593897

IUPAC6-[[[(3R,6S)-6-[(1S)-1-amino-2-(7-methoxy-2-oxoquinolin-1-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCOc1ccc2ccc(=O)n(C[C@H](N)[C@@H]3CC[C@@H](NCc4ccc5c(n4)NC(=O)CO5)CO3)c2c1
InChIInChI=1S/C25H29N5O5/c1-33-18-6-2-15-3-9-24(32)30(20(15)10-18)12-19(26)21-7-5-17(13-34-21)27-11-16-4-8-22-25(28-16)29-23(31)14-35-22/h2-4,6,8-10,17,19,21,27H,5,7,11-14,26H2,1H3,(H,28,29,31)/t17-,19+,21+/m1/s1
InChIKeyNWJXAOFFWTXDMK-LMNJBCLMSA-N
MW479.54 g/mol
LogP1.40
Rot. Bonds7

About 6-[[[(3R,6S)-6-[(1S)-1-amino-2-(7-methoxy-2-oxoquinolin-1-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

6-[[[(3R,6S)-6-[(1S)-1-amino-2-(7-methoxy-2-oxoquinolin-1-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 44593897) has the molecular formula C25H29N5O5 and a molecular weight of 479.54 g/mol. Its IUPAC name is 6-[[[(3R,6S)-6-[(1S)-1-amino-2-(7-methoxy-2-oxoquinolin-1-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name6-[[[(3R,6S)-6-[(1S)-1-amino-2-(7-methoxy-2-oxoquinolin-1-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID44593897
Molecular FormulaC25H29N5O5
Molecular Weight479.54 g/mol
Exact Mass479.22
IUPAC Name6-[[[(3R,6S)-6-[(1S)-1-amino-2-(7-methoxy-2-oxoquinolin-1-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCOc1ccc2ccc(=O)n(C[C@H](N)[C@@H]3CC[C@@H](NCc4ccc5c(n4)NC(=O)CO5)CO3)c2c1
InChIInChI=1S/C25H29N5O5/c1-33-18-6-2-15-3-9-24(32)30(20(15)10-18)12-19(26)21-7-5-17(13-34-21)27-11-16-4-8-22-25(28-16)29-23(31)14-35-22/h2-4,6,8-10,17,19,21,27H,5,7,11-14,26H2,1H3,(H,28,29,31)/t17-,19+,21+/m1/s1
InChIKeyNWJXAOFFWTXDMK-LMNJBCLMSA-N
XLogP1.40
TPSA129.73 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.54
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 6-[[[(3R,6S)-6-[(1S)-1-amino-2-(7-methoxy-2-oxoquinolin-1-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one with MolForge

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Launch Full Analysis

Related Compounds

[4-(4-Amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone
CID 14069005
6-[[[4-[(1R)-1-amino-2-(7-methoxy-2-oxoquinoxalin-1-yl)ethyl]cyclohexyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 46205343
N-[5-[[6-[4-[4-(dimethylamino)piperidin-1-yl]-2-methoxyanilino]-3-piperidin-1-yl-2-pyridinyl]oxy]-2-methylphenyl]prop-2-enamide
CID 151971947
4-(2-methoxyethylamino)-N-(5-(7-methoxyquinolin-4-yloxy)pyridin-2-yl)-2-oxo-1-phenyl-1,2-dihydropyridine-3-carboxamide
CID 11963310
1-(2-{4-[(2,3-Dihydro[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)amino]piperidin-1-yl}ethyl)-7-methoxyquinolin-2(1H)-one
CID 11983362
Methyl 3-oxo-4-[2-(4-{[(3-oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)methyl]amino}piperidin-1-yl)ethyl]-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate
CID 15981894
6-[({1-[2-(6-Acetyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl}amino)methyl]-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one
CID 15981895
6-[({1-[2-(7-Methoxy-2-oxo-2H-3,1-benzoxazin-1(4H)-yl)ethyl]piperidin-4-yl}amino)methyl]-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one
CID 15982151
1-(2-{4-[(2,3-Dihydro[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)amino]piperidin-1-yl}ethyl)-7-methoxy-1,8-naphthyridin-2(1H)-one
CID 15982407
6-[({1-[2-(7-Methoxy-2-oxoquinoxalin-1(2H)-yl)ethyl]piperidin-4-yl}amino)methyl]-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one
CID 15982534
2-oxo-1-[2-[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]piperidin-1-yl]ethyl]quinoline-7-carbonitrile
CID 15983305
6-[[[1-[2-(7-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 15983430

Frequently Asked Questions

What is the IUPAC name of 6-[[[(3R,6S)-6-[(1S)-1-amino-2-(7-methoxy-2-oxoquinolin-1-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 6-[[[(3R,6S)-6-[(1S)-1-amino-2-(7-methoxy-2-oxoquinolin-1-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 44593897) is 6-[[[(3R,6S)-6-[(1S)-1-amino-2-(7-methoxy-2-oxoquinolin-1-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 6-[[[(3R,6S)-6-[(1S)-1-amino-2-(7-methoxy-2-oxoquinolin-1-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 6-[[[(3R,6S)-6-[(1S)-1-amino-2-(7-methoxy-2-oxoquinolin-1-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is COc1ccc2ccc(=O)n(C[C@H](N)[C@@H]3CC[C@@H](NCc4ccc5c(n4)NC(=O)CO5)CO3)c2c1.
What is the InChIKey of 6-[[[(3R,6S)-6-[(1S)-1-amino-2-(7-methoxy-2-oxoquinolin-1-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is NWJXAOFFWTXDMK-LMNJBCLMSA-N. The full InChI is InChI=1S/C25H29N5O5/c1-33-18-6-2-15-3-9-24(32)30(20(15)10-18)12-19(26)21-7-5-17(13-34-21)27-11-16-4-8-22-25(28-16)29-23(31)14-35-22/h2-4,6,8-10,17,19,21,27H,5,7,11-14,26H2,1H3,(H,28,29,31)/t17-,19+,21+/m1/s1.
What are the key properties of 6-[[[(3R,6S)-6-[(1S)-1-amino-2-(7-methoxy-2-oxoquinolin-1-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
6-[[[(3R,6S)-6-[(1S)-1-amino-2-(7-methoxy-2-oxoquinolin-1-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 479.54 g/mol, XLogP of 1.40, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[(3R,6S)-6-[(1S)-1-amino-2-(7-methoxy-2-oxoquinolin-1-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 44593897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).