N-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-1-methyl-3,4-dihydro-2H-quinoline-7-carboxamide

C24H25ClN4O2 — CID 139489334

About N-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-1-methyl-3,4-dihydro-2H-quinoline-7-carboxamide

N-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-1-methyl-3,4-dihydro-2H-quinoline-7-carboxamide (PubChem CID 139489334) has the molecular formula C24H25ClN4O2 and a molecular weight of 436.94 g/mol. Its IUPAC name is N-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-1-methyl-3,4-dihydro-2H-quinoline-7-carboxamide.

Molecular Properties

• Compound Name: N-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-1-methyl-3,4-dihydro-2H-quinoline-7-carboxamide
• PubChem CID: 139489334
• Molecular Formula: C24H25ClN4O2
• Molecular Weight: 436.94 g/mol
• Exact Mass: 436.17
• IUPAC Name: N-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-1-methyl-3,4-dihydro-2H-quinoline-7-carboxamide
• SMILES: C[C@@H](Oc1cc(Cl)cnc1N)c1cccc(NC(=O)c2ccc3c(c2)N(C)CCC3)c1
• InChI: InChI=1S/C24H25ClN4O2/c1-15(31-22-13-19(25)14-27-23(22)26)17-5-3-7-20(11-17)28-24(30)18-9-8-16-6-4-10-29(2)21(16)12-18/h3,5,7-9,11-15H,4,6,10H2,1-2H3,(H2,26,27)(H,28,30)/t15-/m1/s1
• InChIKey: LBWVNBKWUPTWDJ-OAHLLOKOSA-N
• XLogP: 5.09
• TPSA: 80.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	436.94
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-1-methyl-3,4-dihydro-2H-quinoline-7-carboxamide?

The IUPAC name of N-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-1-methyl-3,4-dihydro-2H-quinoline-7-carboxamide (CID 139489334) is N-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-1-methyl-3,4-dihydro-2H-quinoline-7-carboxamide.

What is the SMILES notation for N-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-1-methyl-3,4-dihydro-2H-quinoline-7-carboxamide?

The canonical SMILES for N-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-1-methyl-3,4-dihydro-2H-quinoline-7-carboxamide is C[C@@H](Oc1cc(Cl)cnc1N)c1cccc(NC(=O)c2ccc3c(c2)N(C)CCC3)c1.

What is the InChIKey of N-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-1-methyl-3,4-dihydro-2H-quinoline-7-carboxamide?

The InChIKey is LBWVNBKWUPTWDJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H25ClN4O2/c1-15(31-22-13-19(25)14-27-23(22)26)17-5-3-7-20(11-17)28-24(30)18-9-8-16-6-4-10-29(2)21(16)12-18/h3,5,7-9,11-15H,4,6,10H2,1-2H3,(H2,26,27)(H,28,30)/t15-/m1/s1.

What are the key properties of N-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-1-methyl-3,4-dihydro-2H-quinoline-7-carboxamide?

N-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-1-methyl-3,4-dihydro-2H-quinoline-7-carboxamide has a molecular weight of 436.94 g/mol, XLogP of 5.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-1-methyl-3,4-dihydro-2H-quinoline-7-carboxamide is sourced from PubChem (CID 139489334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).