N-[(1S)-1-(8-chloro-1-ethenylisoquinolin-3-yl)ethyl]pyrido[3,2-d]pyrimidin-4-amine;N-[(1S)-1-[8-chloro-1-(2-morpholin-4-ylethyl)isoquinolin-3-yl]ethyl]pyrido[3,2-d]pyrimidin-4-amine;N-[(1S)-1-[8-chloro-1-(1-propan-2-ylpiperidin-4-yl)oxyisoquinolin-3-yl]ethyl]pyrido[3,2-d]pyrimidin-4-amine;N-[(1S)-1-(1,8-dichloroisoquinolin-3-yl)ethyl]-1,7-naphthyridin-8-amine

C89H84Cl5N21O2 — CID 159205675

About N-[(1S)-1-(8-chloro-1-ethenylisoquinolin-3-yl)ethyl]pyrido[3,2-d]pyrimidin-4-amine;N-[(1S)-1-[8-chloro-1-(2-morpholin-4-ylethyl)isoquinolin-3-yl]ethyl]pyrido[3,2-d]pyrimidin-4-amine;N-[(1S)-1-[8-chloro-1-(1-propan-2-ylpiperidin-4-yl)oxyisoquinolin-3-yl]ethyl]pyrido[3,2-d]pyrimidin-4-amine;N-[(1S)-1-(1,8-dichloroisoquinolin-3-yl)ethyl]-1,7-naphthyridin-8-amine

N-[(1S)-1-(8-chloro-1-ethenylisoquinolin-3-yl)ethyl]pyrido[3,2-d]pyrimidin-4-amine;N-[(1S)-1-[8-chloro-1-(2-morpholin-4-ylethyl)isoquinolin-3-yl]ethyl]pyrido[3,2-d]pyrimidin-4-amine;N-[(1S)-1-[8-chloro-1-(1-propan-2-ylpiperidin-4-yl)oxyisoquinolin-3-yl]ethyl]pyrido[3,2-d]pyrimidin-4-amine;N-[(1S)-1-(1,8-dichloroisoquinolin-3-yl)ethyl]-1,7-naphthyridin-8-amine (PubChem CID 159205675) has the molecular formula C89H84Cl5N21O2 and a molecular weight of 1657.06 g/mol. Its IUPAC name is N-[(1S)-1-(8-chloro-1-ethenylisoquinolin-3-yl)ethyl]pyrido[3,2-d]pyrimidin-4-amine;N-[(1S)-1-[8-chloro-1-(2-morpholin-4-ylethyl)isoquinolin-3-yl]ethyl]pyrido[3,2-d]pyrimidin-4-amine;N-[(1S)-1-[8-chloro-1-(1-propan-2-ylpiperidin-4-yl)oxyisoquinolin-3-yl]ethyl]pyrido[3,2-d]pyrimidin-4-amine;N-[(1S)-1-(1,8-dichloroisoquinolin-3-yl)ethyl]-1,7-naphthyridin-8-amine.

Molecular Properties

• Compound Name: N-[(1S)-1-(8-chloro-1-ethenylisoquinolin-3-yl)ethyl]pyrido[3,2-d]pyrimidin-4-amine;N-[(1S)-1-[8-chloro-1-(2-morpholin-4-ylethyl)isoquinolin-3-yl]ethyl]pyrido[3,2-d]pyrimidin-4-amine;N-[(1S)-1-[8-chloro-1-(1-propan-2-ylpiperidin-4-yl)oxyisoquinolin-3-yl]ethyl]pyrido[3,2-d]pyrimidin-4-amine;N-[(1S)-1-(1,8-dichloroisoquinolin-3-yl)ethyl]-1,7-naphthyridin-8-amine
• PubChem CID: 159205675
• Molecular Formula: C89H84Cl5N21O2
• Molecular Weight: 1657.06 g/mol
• Exact Mass: 1653.56
• IUPAC Name: N-[(1S)-1-(8-chloro-1-ethenylisoquinolin-3-yl)ethyl]pyrido[3,2-d]pyrimidin-4-amine;N-[(1S)-1-[8-chloro-1-(2-morpholin-4-ylethyl)isoquinolin-3-yl]ethyl]pyrido[3,2-d]pyrimidin-4-amine;N-[(1S)-1-[8-chloro-1-(1-propan-2-ylpiperidin-4-yl)oxyisoquinolin-3-yl]ethyl]pyrido[3,2-d]pyrimidin-4-amine;N-[(1S)-1-(1,8-dichloroisoquinolin-3-yl)ethyl]-1,7-naphthyridin-8-amine
• SMILES: C=Cc1nc([C@H](C)Nc2ncnc3cccnc23)cc2cccc(Cl)c12.CC(C)N1CCC(Oc2nc([C@H](C)Nc3ncnc4cccnc34)cc3cccc(Cl)c23)CC1.C[C@H](Nc1nccc2cccnc12)c1cc2cccc(Cl)c2c(Cl)n1.C[C@H](Nc1ncnc2cccnc12)c1cc2cccc(Cl)c2c(CCN2CCOCC2)n1
• InChI: InChI=1S/C26H29ClN6O.C24H25ClN6O.C20H16ClN5.C19H14Cl2N4/c1-16(2)33-12-9-19(10-13-33)34-26-23-18(6-4-7-20(23)27)14-22(32-26)17(3)31-25-24-21(29-15-30-25)8-5-11-28-24;1-16(29-24-23-20(27-15-28-24)6-3-8-26-23)21-14-17-4-2-5-18(25)22(17)19(30-21)7-9-31-10-12-32-13-11-31;1-3-15-18-13(6-4-7-14(18)21)10-17(26-15)12(2)25-20-19-16(23-11-24-20)8-5-9-22-19;1-11(24-19-17-12(7-9-23-19)5-3-8-22-17)15-10-13-4-2-6-14(20)16(13)18(21)25-15/h4-8,11,14-17,19H,9-10,12-13H2,1-3H3,(H,29,30,31);2-6,8,14-16H,7,9-13H2,1H3,(H,27,28,29);3-12H,1H2,2H3,(H,23,24,25);2-11H,1H3,(H,23,24)/t17-;16-;12-;11-/m0000/s1
• InChIKey: KPVUFRHGTXBXHL-HGRYWOINSA-N
• XLogP: 20.63
• TPSA: 266.41 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 23
• Rotatable Bonds: 19
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1657.06
LogP ≤ 5	20.63
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(8-chloro-1-ethenylisoquinolin-3-yl)ethyl]pyrido[3,2-d]pyrimidin-4-amine;N-[(1S)-1-[8-chloro-1-(2-morpholin-4-ylethyl)isoquinolin-3-yl]ethyl]pyrido[3,2-d]pyrimidin-4-amine;N-[(1S)-1-[8-chloro-1-(1-propan-2-ylpiperidin-4-yl)oxyisoquinolin-3-yl]ethyl]pyrido[3,2-d]pyrimidin-4-amine;N-[(1S)-1-(1,8-dichloroisoquinolin-3-yl)ethyl]-1,7-naphthyridin-8-amine?

The IUPAC name of N-[(1S)-1-(8-chloro-1-ethenylisoquinolin-3-yl)ethyl]pyrido[3,2-d]pyrimidin-4-amine;N-[(1S)-1-[8-chloro-1-(2-morpholin-4-ylethyl)isoquinolin-3-yl]ethyl]pyrido[3,2-d]pyrimidin-4-amine;N-[(1S)-1-[8-chloro-1-(1-propan-2-ylpiperidin-4-yl)oxyisoquinolin-3-yl]ethyl]pyrido[3,2-d]pyrimidin-4-amine;N-[(1S)-1-(1,8-dichloroisoquinolin-3-yl)ethyl]-1,7-naphthyridin-8-amine (CID 159205675) is N-[(1S)-1-(8-chloro-1-ethenylisoquinolin-3-yl)ethyl]pyrido[3,2-d]pyrimidin-4-amine;N-[(1S)-1-[8-chloro-1-(2-morpholin-4-ylethyl)isoquinolin-3-yl]ethyl]pyrido[3,2-d]pyrimidin-4-amine;N-[(1S)-1-[8-chloro-1-(1-propan-2-ylpiperidin-4-yl)oxyisoquinolin-3-yl]ethyl]pyrido[3,2-d]pyrimidin-4-amine;N-[(1S)-1-(1,8-dichloroisoquinolin-3-yl)ethyl]-1,7-naphthyridin-8-amine.

What is the SMILES notation for N-[(1S)-1-(8-chloro-1-ethenylisoquinolin-3-yl)ethyl]pyrido[3,2-d]pyrimidin-4-amine;N-[(1S)-1-[8-chloro-1-(2-morpholin-4-ylethyl)isoquinolin-3-yl]ethyl]pyrido[3,2-d]pyrimidin-4-amine;N-[(1S)-1-[8-chloro-1-(1-propan-2-ylpiperidin-4-yl)oxyisoquinolin-3-yl]ethyl]pyrido[3,2-d]pyrimidin-4-amine;N-[(1S)-1-(1,8-dichloroisoquinolin-3-yl)ethyl]-1,7-naphthyridin-8-amine?

The canonical SMILES for N-[(1S)-1-(8-chloro-1-ethenylisoquinolin-3-yl)ethyl]pyrido[3,2-d]pyrimidin-4-amine;N-[(1S)-1-[8-chloro-1-(2-morpholin-4-ylethyl)isoquinolin-3-yl]ethyl]pyrido[3,2-d]pyrimidin-4-amine;N-[(1S)-1-[8-chloro-1-(1-propan-2-ylpiperidin-4-yl)oxyisoquinolin-3-yl]ethyl]pyrido[3,2-d]pyrimidin-4-amine;N-[(1S)-1-(1,8-dichloroisoquinolin-3-yl)ethyl]-1,7-naphthyridin-8-amine is C=Cc1nc([C@H](C)Nc2ncnc3cccnc23)cc2cccc(Cl)c12.CC(C)N1CCC(Oc2nc([C@H](C)Nc3ncnc4cccnc34)cc3cccc(Cl)c23)CC1.C[C@H](Nc1nccc2cccnc12)c1cc2cccc(Cl)c2c(Cl)n1.C[C@H](Nc1ncnc2cccnc12)c1cc2cccc(Cl)c2c(CCN2CCOCC2)n1.

What is the InChIKey of N-[(1S)-1-(8-chloro-1-ethenylisoquinolin-3-yl)ethyl]pyrido[3,2-d]pyrimidin-4-amine;N-[(1S)-1-[8-chloro-1-(2-morpholin-4-ylethyl)isoquinolin-3-yl]ethyl]pyrido[3,2-d]pyrimidin-4-amine;N-[(1S)-1-[8-chloro-1-(1-propan-2-ylpiperidin-4-yl)oxyisoquinolin-3-yl]ethyl]pyrido[3,2-d]pyrimidin-4-amine;N-[(1S)-1-(1,8-dichloroisoquinolin-3-yl)ethyl]-1,7-naphthyridin-8-amine?

The InChIKey is KPVUFRHGTXBXHL-HGRYWOINSA-N. The full InChI is InChI=1S/C26H29ClN6O.C24H25ClN6O.C20H16ClN5.C19H14Cl2N4/c1-16(2)33-12-9-19(10-13-33)34-26-23-18(6-4-7-20(23)27)14-22(32-26)17(3)31-25-24-21(29-15-30-25)8-5-11-28-24;1-16(29-24-23-20(27-15-28-24)6-3-8-26-23)21-14-17-4-2-5-18(25)22(17)19(30-21)7-9-31-10-12-32-13-11-31;1-3-15-18-13(6-4-7-14(18)21)10-17(26-15)12(2)25-20-19-16(23-11-24-20)8-5-9-22-19;1-11(24-19-17-12(7-9-23-19)5-3-8-22-17)15-10-13-4-2-6-14(20)16(13)18(21)25-15/h4-8,11,14-17,19H,9-10,12-13H2,1-3H3,(H,29,30,31);2-6,8,14-16H,7,9-13H2,1H3,(H,27,28,29);3-12H,1H2,2H3,(H,23,24,25);2-11H,1H3,(H,23,24)/t17-;16-;12-;11-/m0000/s1.

What are the key properties of N-[(1S)-1-(8-chloro-1-ethenylisoquinolin-3-yl)ethyl]pyrido[3,2-d]pyrimidin-4-amine;N-[(1S)-1-[8-chloro-1-(2-morpholin-4-ylethyl)isoquinolin-3-yl]ethyl]pyrido[3,2-d]pyrimidin-4-amine;N-[(1S)-1-[8-chloro-1-(1-propan-2-ylpiperidin-4-yl)oxyisoquinolin-3-yl]ethyl]pyrido[3,2-d]pyrimidin-4-amine;N-[(1S)-1-(1,8-dichloroisoquinolin-3-yl)ethyl]-1,7-naphthyridin-8-amine?

N-[(1S)-1-(8-chloro-1-ethenylisoquinolin-3-yl)ethyl]pyrido[3,2-d]pyrimidin-4-amine;N-[(1S)-1-[8-chloro-1-(2-morpholin-4-ylethyl)isoquinolin-3-yl]ethyl]pyrido[3,2-d]pyrimidin-4-amine;N-[(1S)-1-[8-chloro-1-(1-propan-2-ylpiperidin-4-yl)oxyisoquinolin-3-yl]ethyl]pyrido[3,2-d]pyrimidin-4-amine;N-[(1S)-1-(1,8-dichloroisoquinolin-3-yl)ethyl]-1,7-naphthyridin-8-amine has a molecular weight of 1657.06 g/mol, XLogP of 20.63, 19 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1-(8-chloro-1-ethenylisoquinolin-3-yl)ethyl]pyrido[3,2-d]pyrimidin-4-amine;N-[(1S)-1-[8-chloro-1-(2-morpholin-4-ylethyl)isoquinolin-3-yl]ethyl]pyrido[3,2-d]pyrimidin-4-amine;N-[(1S)-1-[8-chloro-1-(1-propan-2-ylpiperidin-4-yl)oxyisoquinolin-3-yl]ethyl]pyrido[3,2-d]pyrimidin-4-amine;N-[(1S)-1-(1,8-dichloroisoquinolin-3-yl)ethyl]-1,7-naphthyridin-8-amine is sourced from PubChem (CID 159205675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).