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

C26H30FN5O3 — CID 46206324

IUPAC6-[[[4-[(1R)-1-amino-2-(7-fluoro-4-methyl-2-oxoquinolin-1-yl)ethyl]cyclohexyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCc1cc(=O)n(C[C@H](N)C2CCC(NCc3ccc4c(n3)NC(=O)CO4)CC2)c2cc(F)ccc12
InChIInChI=1S/C26H30FN5O3/c1-15-10-25(34)32(22-11-17(27)4-8-20(15)22)13-21(28)16-2-5-18(6-3-16)29-12-19-7-9-23-26(30-19)31-24(33)14-35-23/h4,7-11,16,18,21,29H,2-3,5-6,12-14,28H2,1H3,(H,30,31,33)/t16?,18?,21-/m0/s1
InChIKeyLQMRSUUERNSPLQ-IAYYMHMVSA-N
MW479.56 g/mol
LogP2.85
Rot. Bonds6

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

6-[[[4-[(1R)-1-amino-2-(7-fluoro-4-methyl-2-oxoquinolin-1-yl)ethyl]cyclohexyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 46206324) has the molecular formula C26H30FN5O3 and a molecular weight of 479.56 g/mol. Its IUPAC name is 6-[[[4-[(1R)-1-amino-2-(7-fluoro-4-methyl-2-oxoquinolin-1-yl)ethyl]cyclohexyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name6-[[[4-[(1R)-1-amino-2-(7-fluoro-4-methyl-2-oxoquinolin-1-yl)ethyl]cyclohexyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID46206324
Molecular FormulaC26H30FN5O3
Molecular Weight479.56 g/mol
Exact Mass479.23
IUPAC Name6-[[[4-[(1R)-1-amino-2-(7-fluoro-4-methyl-2-oxoquinolin-1-yl)ethyl]cyclohexyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCc1cc(=O)n(C[C@H](N)C2CCC(NCc3ccc4c(n3)NC(=O)CO4)CC2)c2cc(F)ccc12
InChIInChI=1S/C26H30FN5O3/c1-15-10-25(34)32(22-11-17(27)4-8-20(15)22)13-21(28)16-2-5-18(6-3-16)29-12-19-7-9-23-26(30-19)31-24(33)14-35-23/h4,7-11,16,18,21,29H,2-3,5-6,12-14,28H2,1H3,(H,30,31,33)/t16?,18?,21-/m0/s1
InChIKeyLQMRSUUERNSPLQ-IAYYMHMVSA-N
XLogP2.85
TPSA111.27 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.56
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 6-[[[4-[(1R)-1-amino-2-(7-fluoro-4-methyl-2-oxoquinolin-1-yl)ethyl]cyclohexyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 6-[[[4-[(1R)-1-amino-2-(7-fluoro-4-methyl-2-oxoquinolin-1-yl)ethyl]cyclohexyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 46206324) is 6-[[[4-[(1R)-1-amino-2-(7-fluoro-4-methyl-2-oxoquinolin-1-yl)ethyl]cyclohexyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 6-[[[4-[(1R)-1-amino-2-(7-fluoro-4-methyl-2-oxoquinolin-1-yl)ethyl]cyclohexyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 6-[[[4-[(1R)-1-amino-2-(7-fluoro-4-methyl-2-oxoquinolin-1-yl)ethyl]cyclohexyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is Cc1cc(=O)n(C[C@H](N)C2CCC(NCc3ccc4c(n3)NC(=O)CO4)CC2)c2cc(F)ccc12.
What is the InChIKey of 6-[[[4-[(1R)-1-amino-2-(7-fluoro-4-methyl-2-oxoquinolin-1-yl)ethyl]cyclohexyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is LQMRSUUERNSPLQ-IAYYMHMVSA-N. The full InChI is InChI=1S/C26H30FN5O3/c1-15-10-25(34)32(22-11-17(27)4-8-20(15)22)13-21(28)16-2-5-18(6-3-16)29-12-19-7-9-23-26(30-19)31-24(33)14-35-23/h4,7-11,16,18,21,29H,2-3,5-6,12-14,28H2,1H3,(H,30,31,33)/t16?,18?,21-/m0/s1.
What are the key properties of 6-[[[4-[(1R)-1-amino-2-(7-fluoro-4-methyl-2-oxoquinolin-1-yl)ethyl]cyclohexyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
6-[[[4-[(1R)-1-amino-2-(7-fluoro-4-methyl-2-oxoquinolin-1-yl)ethyl]cyclohexyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 479.56 g/mol, XLogP of 2.85, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[4-[(1R)-1-amino-2-(7-fluoro-4-methyl-2-oxoquinolin-1-yl)ethyl]cyclohexyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 46206324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).