6-[(3aS,6S,7aS)-6-[2-(7-methoxy-2-oxo-1,5-naphthyridin-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

C25H26N6O6 — CID 130336489

IUPAC6-[(3aS,6S,7aS)-6-[2-(7-methoxy-2-oxo-1,5-naphthyridin-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
SMILESCOc1cnc2ccc(=O)n(CCN[C@H]3CC[C@H]4[C@H](C3)OC(=O)N4c3ccc4c(n3)NC(=O)CO4)c2c1
InChIInChI=1S/C25H26N6O6/c1-35-15-11-18-16(27-12-15)3-7-23(33)30(18)9-8-26-14-2-4-17-20(10-14)37-25(34)31(17)21-6-5-19-24(28-21)29-22(32)13-36-19/h3,5-7,11-12,14,17,20,26H,2,4,8-10,13H2,1H3,(H,28,29,32)/t14-,17-,20-/m0/s1
InChIKeyQNIRZGVLRPNLDU-VHFSOBRXSA-N
MW506.52 g/mol
LogP1.67
Rot. Bonds6

About 6-[(3aS,6S,7aS)-6-[2-(7-methoxy-2-oxo-1,5-naphthyridin-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

6-[(3aS,6S,7aS)-6-[2-(7-methoxy-2-oxo-1,5-naphthyridin-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 (PubChem CID 130336489) has the molecular formula C25H26N6O6 and a molecular weight of 506.52 g/mol. Its IUPAC name is 6-[(3aS,6S,7aS)-6-[2-(7-methoxy-2-oxo-1,5-naphthyridin-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.

Molecular Properties

Compound Name6-[(3aS,6S,7aS)-6-[2-(7-methoxy-2-oxo-1,5-naphthyridin-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
PubChem CID130336489
Molecular FormulaC25H26N6O6
Molecular Weight506.52 g/mol
Exact Mass506.19
IUPAC Name6-[(3aS,6S,7aS)-6-[2-(7-methoxy-2-oxo-1,5-naphthyridin-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
SMILESCOc1cnc2ccc(=O)n(CCN[C@H]3CC[C@H]4[C@H](C3)OC(=O)N4c3ccc4c(n3)NC(=O)CO4)c2c1
InChIInChI=1S/C25H26N6O6/c1-35-15-11-18-16(27-12-15)3-7-23(33)30(18)9-8-26-14-2-4-17-20(10-14)37-25(34)31(17)21-6-5-19-24(28-21)29-22(32)13-36-19/h3,5-7,11-12,14,17,20,26H,2,4,8-10,13H2,1H3,(H,28,29,32)/t14-,17-,20-/m0/s1
InChIKeyQNIRZGVLRPNLDU-VHFSOBRXSA-N
XLogP1.67
TPSA136.91 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.52
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 6-[(3aS,6S,7aS)-6-[2-(7-methoxy-2-oxo-1,5-naphthyridin-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[(3aS,6S,7aS)-6-[2-(7-methoxy-2-oxo-1,5-naphthyridin-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?
The IUPAC name of 6-[(3aS,6S,7aS)-6-[2-(7-methoxy-2-oxo-1,5-naphthyridin-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 130336489) is 6-[(3aS,6S,7aS)-6-[2-(7-methoxy-2-oxo-1,5-naphthyridin-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.
What is the SMILES notation for 6-[(3aS,6S,7aS)-6-[2-(7-methoxy-2-oxo-1,5-naphthyridin-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?
The canonical SMILES for 6-[(3aS,6S,7aS)-6-[2-(7-methoxy-2-oxo-1,5-naphthyridin-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 is COc1cnc2ccc(=O)n(CCN[C@H]3CC[C@H]4[C@H](C3)OC(=O)N4c3ccc4c(n3)NC(=O)CO4)c2c1.
What is the InChIKey of 6-[(3aS,6S,7aS)-6-[2-(7-methoxy-2-oxo-1,5-naphthyridin-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?
The InChIKey is QNIRZGVLRPNLDU-VHFSOBRXSA-N. The full InChI is InChI=1S/C25H26N6O6/c1-35-15-11-18-16(27-12-15)3-7-23(33)30(18)9-8-26-14-2-4-17-20(10-14)37-25(34)31(17)21-6-5-19-24(28-21)29-22(32)13-36-19/h3,5-7,11-12,14,17,20,26H,2,4,8-10,13H2,1H3,(H,28,29,32)/t14-,17-,20-/m0/s1.
What are the key properties of 6-[(3aS,6S,7aS)-6-[2-(7-methoxy-2-oxo-1,5-naphthyridin-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?
6-[(3aS,6S,7aS)-6-[2-(7-methoxy-2-oxo-1,5-naphthyridin-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 has a molecular weight of 506.52 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3aS,6S,7aS)-6-[2-(7-methoxy-2-oxo-1,5-naphthyridin-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 is sourced from PubChem (CID 130336489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).