2-[[[4-[1-amino-2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]cyclohexyl]amino]methyl]-8H-pyrimido[5,4-b][1,4]oxazin-7-one

C24H29N7O4 — CID 67010777

IUPAC2-[[[4-[1-amino-2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]cyclohexyl]amino]methyl]-8H-pyrimido[5,4-b][1,4]oxazin-7-one
SMILESCOc1cnc2ccc(=O)n(CC(N)C3CCC(NCc4ncc5c(n4)NC(=O)CO5)CC3)c2c1
InChIInChI=1S/C24H29N7O4/c1-34-16-8-19-18(27-9-16)6-7-23(33)31(19)12-17(25)14-2-4-15(5-3-14)26-11-21-28-10-20-24(29-21)30-22(32)13-35-20/h6-10,14-15,17,26H,2-5,11-13,25H2,1H3,(H,28,29,30,32)
InChIKeyFSLOAJNXLKGYGD-UHFFFAOYSA-N
MW479.54 g/mol
LogP1.20
Rot. Bonds7

About 2-[[[4-[1-amino-2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]cyclohexyl]amino]methyl]-8H-pyrimido[5,4-b][1,4]oxazin-7-one

2-[[[4-[1-amino-2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]cyclohexyl]amino]methyl]-8H-pyrimido[5,4-b][1,4]oxazin-7-one (PubChem CID 67010777) has the molecular formula C24H29N7O4 and a molecular weight of 479.54 g/mol. Its IUPAC name is 2-[[[4-[1-amino-2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]cyclohexyl]amino]methyl]-8H-pyrimido[5,4-b][1,4]oxazin-7-one.

Molecular Properties

Compound Name2-[[[4-[1-amino-2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]cyclohexyl]amino]methyl]-8H-pyrimido[5,4-b][1,4]oxazin-7-one
PubChem CID67010777
Molecular FormulaC24H29N7O4
Molecular Weight479.54 g/mol
Exact Mass479.23
IUPAC Name2-[[[4-[1-amino-2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]cyclohexyl]amino]methyl]-8H-pyrimido[5,4-b][1,4]oxazin-7-one
SMILESCOc1cnc2ccc(=O)n(CC(N)C3CCC(NCc4ncc5c(n4)NC(=O)CO5)CC3)c2c1
InChIInChI=1S/C24H29N7O4/c1-34-16-8-19-18(27-9-16)6-7-23(33)31(19)12-17(25)14-2-4-15(5-3-14)26-11-21-28-10-20-24(29-21)30-22(32)13-35-20/h6-10,14-15,17,26H,2-5,11-13,25H2,1H3,(H,28,29,30,32)
InChIKeyFSLOAJNXLKGYGD-UHFFFAOYSA-N
XLogP1.20
TPSA146.28 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.54
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 2-[[[4-[1-amino-2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]cyclohexyl]amino]methyl]-8H-pyrimido[5,4-b][1,4]oxazin-7-one with MolForge

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Launch Full Analysis

Related Compounds

6-[2-[4-[1-amino-2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]cyclohexyl]ethyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 58523967
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
6-[[[2-[1-hydroxy-2-(7-methoxy-2-oxoquinoxalin-1-yl)ethyl]-1,3-dioxan-5-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 146503229
2-[[[4-[(5-methyl-6-oxo-1,5-naphthyridin-4-yl)oxymethyl]cyclohexyl]amino]methyl]-8H-pyrimido[5,4-b][1,4]oxazin-7-one
CID 45378113
6-[(3aS,6S,7aS)-6-[3-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)propylamino]-2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 130303467
6-[[[(3S,4R)-3-fluoro-1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 90644115
6-[[[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 71152864
6-[(3aR,7aS)-5-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]-2-oxo-4,6,7,7a-tetrahydro-3aH-[1,3]oxazolo[5,4-c]pyridin-1-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 137459984
6-[(3aS,6S,7aR)-6-[2-(7-methoxy-2-oxoquinoxalin-1-yl)ethylamino]-2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 130303378
6-[[[1-[2-(7-methoxy-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-1,4-benzoxazin-3-one
CID 59398425
N-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)-1-[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]cyclohexyl]ethyl]-2-nitrobenzenesulfonamide
CID 67010551
6-[[[(3R,4S)-3-hydroxy-1-[2-(7-methoxy-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;dihydrochloride
CID 25008766

Frequently Asked Questions

What is the IUPAC name of 2-[[[4-[1-amino-2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]cyclohexyl]amino]methyl]-8H-pyrimido[5,4-b][1,4]oxazin-7-one?
The IUPAC name of 2-[[[4-[1-amino-2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]cyclohexyl]amino]methyl]-8H-pyrimido[5,4-b][1,4]oxazin-7-one (CID 67010777) is 2-[[[4-[1-amino-2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]cyclohexyl]amino]methyl]-8H-pyrimido[5,4-b][1,4]oxazin-7-one.
What is the SMILES notation for 2-[[[4-[1-amino-2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]cyclohexyl]amino]methyl]-8H-pyrimido[5,4-b][1,4]oxazin-7-one?
The canonical SMILES for 2-[[[4-[1-amino-2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]cyclohexyl]amino]methyl]-8H-pyrimido[5,4-b][1,4]oxazin-7-one is COc1cnc2ccc(=O)n(CC(N)C3CCC(NCc4ncc5c(n4)NC(=O)CO5)CC3)c2c1.
What is the InChIKey of 2-[[[4-[1-amino-2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]cyclohexyl]amino]methyl]-8H-pyrimido[5,4-b][1,4]oxazin-7-one?
The InChIKey is FSLOAJNXLKGYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O4/c1-34-16-8-19-18(27-9-16)6-7-23(33)31(19)12-17(25)14-2-4-15(5-3-14)26-11-21-28-10-20-24(29-21)30-22(32)13-35-20/h6-10,14-15,17,26H,2-5,11-13,25H2,1H3,(H,28,29,30,32).
What are the key properties of 2-[[[4-[1-amino-2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]cyclohexyl]amino]methyl]-8H-pyrimido[5,4-b][1,4]oxazin-7-one?
2-[[[4-[1-amino-2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]cyclohexyl]amino]methyl]-8H-pyrimido[5,4-b][1,4]oxazin-7-one has a molecular weight of 479.54 g/mol, XLogP of 1.20, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[4-[1-amino-2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]cyclohexyl]amino]methyl]-8H-pyrimido[5,4-b][1,4]oxazin-7-one is sourced from PubChem (CID 67010777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).