8-[(2S)-2-amino-4-methylpentoxy]-7-chloro-4,6-dimethylbenzo[c][2,7]naphthyridin-5-one;tert-butyl N-[(2S)-1-(7-chloro-4,6-dimethyl-5-oxobenzo[c][2,7]naphthyridin-8-yl)oxy-4-methylpentan-2-yl]carbamate;tert-butyl N-[(2S)-1-(9-chloro-4,6-dimethyl-5-oxobenzo[c][2,7]naphthyridin-8-yl)oxy-4-methylpentan-2-yl]carbamate

C70H88Cl3N9O10 — CID 160797771

About 8-[(2S)-2-amino-4-methylpentoxy]-7-chloro-4,6-dimethylbenzo[c][2,7]naphthyridin-5-one;tert-butyl N-[(2S)-1-(7-chloro-4,6-dimethyl-5-oxobenzo[c][2,7]naphthyridin-8-yl)oxy-4-methylpentan-2-yl]carbamate;tert-butyl N-[(2S)-1-(9-chloro-4,6-dimethyl-5-oxobenzo[c][2,7]naphthyridin-8-yl)oxy-4-methylpentan-2-yl]carbamate

8-[(2S)-2-amino-4-methylpentoxy]-7-chloro-4,6-dimethylbenzo[c][2,7]naphthyridin-5-one;tert-butyl N-[(2S)-1-(7-chloro-4,6-dimethyl-5-oxobenzo[c][2,7]naphthyridin-8-yl)oxy-4-methylpentan-2-yl]carbamate;tert-butyl N-[(2S)-1-(9-chloro-4,6-dimethyl-5-oxobenzo[c][2,7]naphthyridin-8-yl)oxy-4-methylpentan-2-yl]carbamate (PubChem CID 160797771) has the molecular formula C70H88Cl3N9O10 and a molecular weight of 1321.89 g/mol. Its IUPAC name is 8-[(2S)-2-amino-4-methylpentoxy]-7-chloro-4,6-dimethylbenzo[c][2,7]naphthyridin-5-one;tert-butyl N-[(2S)-1-(7-chloro-4,6-dimethyl-5-oxobenzo[c][2,7]naphthyridin-8-yl)oxy-4-methylpentan-2-yl]carbamate;tert-butyl N-[(2S)-1-(9-chloro-4,6-dimethyl-5-oxobenzo[c][2,7]naphthyridin-8-yl)oxy-4-methylpentan-2-yl]carbamate.

Molecular Properties

• Compound Name: 8-[(2S)-2-amino-4-methylpentoxy]-7-chloro-4,6-dimethylbenzo[c][2,7]naphthyridin-5-one;tert-butyl N-[(2S)-1-(7-chloro-4,6-dimethyl-5-oxobenzo[c][2,7]naphthyridin-8-yl)oxy-4-methylpentan-2-yl]carbamate;tert-butyl N-[(2S)-1-(9-chloro-4,6-dimethyl-5-oxobenzo[c][2,7]naphthyridin-8-yl)oxy-4-methylpentan-2-yl]carbamate
• PubChem CID: 160797771
• Molecular Formula: C70H88Cl3N9O10
• Molecular Weight: 1321.89 g/mol
• Exact Mass: 1319.57
• IUPAC Name: 8-[(2S)-2-amino-4-methylpentoxy]-7-chloro-4,6-dimethylbenzo[c][2,7]naphthyridin-5-one;tert-butyl N-[(2S)-1-(7-chloro-4,6-dimethyl-5-oxobenzo[c][2,7]naphthyridin-8-yl)oxy-4-methylpentan-2-yl]carbamate;tert-butyl N-[(2S)-1-(9-chloro-4,6-dimethyl-5-oxobenzo[c][2,7]naphthyridin-8-yl)oxy-4-methylpentan-2-yl]carbamate
• SMILES: Cc1nccc2c1c(=O)n(C)c1c(Cl)c(OC[C@@H](N)CC(C)C)ccc21.Cc1nccc2c1c(=O)n(C)c1c(Cl)c(OC[C@H](CC(C)C)NC(=O)OC(C)(C)C)ccc21.Cc1nccc2c1c(=O)n(C)c1cc(OC[C@H](CC(C)C)NC(=O)OC(C)(C)C)c(Cl)cc21
• InChI: InChI=1S/2C25H32ClN3O4.C20H24ClN3O2/c1-14(2)10-16(28-24(31)33-25(4,5)6)13-32-21-12-20-18(11-19(21)26)17-8-9-27-15(3)22(17)23(30)29(20)7;1-14(2)12-16(28-24(31)33-25(4,5)6)13-32-19-9-8-18-17-10-11-27-15(3)20(17)23(30)29(7)22(18)21(19)26;1-11(2)9-13(22)10-26-16-6-5-15-14-7-8-23-12(3)17(14)20(25)24(4)19(15)18(16)21/h8-9,11-12,14,16H,10,13H2,1-7H3,(H,28,31);8-11,14,16H,12-13H2,1-7H3,(H,28,31);5-8,11,13H,9-10,22H2,1-4H3/t2*16-;13-/m000/s1
• InChIKey: SCQXNWHSAZRUBG-OQWJYRBASA-N
• XLogP: 14.53
• TPSA: 235.04 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 17
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1321.89
LogP ≤ 5	14.53
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-[(2S)-2-amino-4-methylpentoxy]-7-chloro-4,6-dimethylbenzo[c][2,7]naphthyridin-5-one;tert-butyl N-[(2S)-1-(7-chloro-4,6-dimethyl-5-oxobenzo[c][2,7]naphthyridin-8-yl)oxy-4-methylpentan-2-yl]carbamate;tert-butyl N-[(2S)-1-(9-chloro-4,6-dimethyl-5-oxobenzo[c][2,7]naphthyridin-8-yl)oxy-4-methylpentan-2-yl]carbamate?

The IUPAC name of 8-[(2S)-2-amino-4-methylpentoxy]-7-chloro-4,6-dimethylbenzo[c][2,7]naphthyridin-5-one;tert-butyl N-[(2S)-1-(7-chloro-4,6-dimethyl-5-oxobenzo[c][2,7]naphthyridin-8-yl)oxy-4-methylpentan-2-yl]carbamate;tert-butyl N-[(2S)-1-(9-chloro-4,6-dimethyl-5-oxobenzo[c][2,7]naphthyridin-8-yl)oxy-4-methylpentan-2-yl]carbamate (CID 160797771) is 8-[(2S)-2-amino-4-methylpentoxy]-7-chloro-4,6-dimethylbenzo[c][2,7]naphthyridin-5-one;tert-butyl N-[(2S)-1-(7-chloro-4,6-dimethyl-5-oxobenzo[c][2,7]naphthyridin-8-yl)oxy-4-methylpentan-2-yl]carbamate;tert-butyl N-[(2S)-1-(9-chloro-4,6-dimethyl-5-oxobenzo[c][2,7]naphthyridin-8-yl)oxy-4-methylpentan-2-yl]carbamate.

What is the SMILES notation for 8-[(2S)-2-amino-4-methylpentoxy]-7-chloro-4,6-dimethylbenzo[c][2,7]naphthyridin-5-one;tert-butyl N-[(2S)-1-(7-chloro-4,6-dimethyl-5-oxobenzo[c][2,7]naphthyridin-8-yl)oxy-4-methylpentan-2-yl]carbamate;tert-butyl N-[(2S)-1-(9-chloro-4,6-dimethyl-5-oxobenzo[c][2,7]naphthyridin-8-yl)oxy-4-methylpentan-2-yl]carbamate?

The canonical SMILES for 8-[(2S)-2-amino-4-methylpentoxy]-7-chloro-4,6-dimethylbenzo[c][2,7]naphthyridin-5-one;tert-butyl N-[(2S)-1-(7-chloro-4,6-dimethyl-5-oxobenzo[c][2,7]naphthyridin-8-yl)oxy-4-methylpentan-2-yl]carbamate;tert-butyl N-[(2S)-1-(9-chloro-4,6-dimethyl-5-oxobenzo[c][2,7]naphthyridin-8-yl)oxy-4-methylpentan-2-yl]carbamate is Cc1nccc2c1c(=O)n(C)c1c(Cl)c(OC[C@@H](N)CC(C)C)ccc21.Cc1nccc2c1c(=O)n(C)c1c(Cl)c(OC[C@H](CC(C)C)NC(=O)OC(C)(C)C)ccc21.Cc1nccc2c1c(=O)n(C)c1cc(OC[C@H](CC(C)C)NC(=O)OC(C)(C)C)c(Cl)cc21.

What is the InChIKey of 8-[(2S)-2-amino-4-methylpentoxy]-7-chloro-4,6-dimethylbenzo[c][2,7]naphthyridin-5-one;tert-butyl N-[(2S)-1-(7-chloro-4,6-dimethyl-5-oxobenzo[c][2,7]naphthyridin-8-yl)oxy-4-methylpentan-2-yl]carbamate;tert-butyl N-[(2S)-1-(9-chloro-4,6-dimethyl-5-oxobenzo[c][2,7]naphthyridin-8-yl)oxy-4-methylpentan-2-yl]carbamate?

The InChIKey is SCQXNWHSAZRUBG-OQWJYRBASA-N. The full InChI is InChI=1S/2C25H32ClN3O4.C20H24ClN3O2/c1-14(2)10-16(28-24(31)33-25(4,5)6)13-32-21-12-20-18(11-19(21)26)17-8-9-27-15(3)22(17)23(30)29(20)7;1-14(2)12-16(28-24(31)33-25(4,5)6)13-32-19-9-8-18-17-10-11-27-15(3)20(17)23(30)29(7)22(18)21(19)26;1-11(2)9-13(22)10-26-16-6-5-15-14-7-8-23-12(3)17(14)20(25)24(4)19(15)18(16)21/h8-9,11-12,14,16H,10,13H2,1-7H3,(H,28,31);8-11,14,16H,12-13H2,1-7H3,(H,28,31);5-8,11,13H,9-10,22H2,1-4H3/t2*16-;13-/m000/s1.

What are the key properties of 8-[(2S)-2-amino-4-methylpentoxy]-7-chloro-4,6-dimethylbenzo[c][2,7]naphthyridin-5-one;tert-butyl N-[(2S)-1-(7-chloro-4,6-dimethyl-5-oxobenzo[c][2,7]naphthyridin-8-yl)oxy-4-methylpentan-2-yl]carbamate;tert-butyl N-[(2S)-1-(9-chloro-4,6-dimethyl-5-oxobenzo[c][2,7]naphthyridin-8-yl)oxy-4-methylpentan-2-yl]carbamate?

8-[(2S)-2-amino-4-methylpentoxy]-7-chloro-4,6-dimethylbenzo[c][2,7]naphthyridin-5-one;tert-butyl N-[(2S)-1-(7-chloro-4,6-dimethyl-5-oxobenzo[c][2,7]naphthyridin-8-yl)oxy-4-methylpentan-2-yl]carbamate;tert-butyl N-[(2S)-1-(9-chloro-4,6-dimethyl-5-oxobenzo[c][2,7]naphthyridin-8-yl)oxy-4-methylpentan-2-yl]carbamate has a molecular weight of 1321.89 g/mol, XLogP of 14.53, 17 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[(2S)-2-amino-4-methylpentoxy]-7-chloro-4,6-dimethylbenzo[c][2,7]naphthyridin-5-one;tert-butyl N-[(2S)-1-(7-chloro-4,6-dimethyl-5-oxobenzo[c][2,7]naphthyridin-8-yl)oxy-4-methylpentan-2-yl]carbamate;tert-butyl N-[(2S)-1-(9-chloro-4,6-dimethyl-5-oxobenzo[c][2,7]naphthyridin-8-yl)oxy-4-methylpentan-2-yl]carbamate is sourced from PubChem (CID 160797771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).