N-[(2R)-1-[(3R)-6-chloro-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-(3,4-dimethoxybenzoyl)piperidine-1-carboxamide

C38H44ClN5O5 — CID 70105293

About N-[(2R)-1-[(3R)-6-chloro-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-(3,4-dimethoxybenzoyl)piperidine-1-carboxamide

N-[(2R)-1-[(3R)-6-chloro-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-(3,4-dimethoxybenzoyl)piperidine-1-carboxamide (PubChem CID 70105293) has the molecular formula C38H44ClN5O5 and a molecular weight of 686.25 g/mol. Its IUPAC name is N-[(2R)-1-[(3R)-6-chloro-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-(3,4-dimethoxybenzoyl)piperidine-1-carboxamide.

Molecular Properties

• Compound Name: N-[(2R)-1-[(3R)-6-chloro-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-(3,4-dimethoxybenzoyl)piperidine-1-carboxamide
• PubChem CID: 70105293
• Molecular Formula: C38H44ClN5O5
• Molecular Weight: 686.25 g/mol
• Exact Mass: 685.30
• IUPAC Name: N-[(2R)-1-[(3R)-6-chloro-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-(3,4-dimethoxybenzoyl)piperidine-1-carboxamide
• SMILES: COc1ccc(C(=O)C2CCN(C(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)N3C[C@@H](CN(C)C)Cc4cc(Cl)ccc43)CC2)cc1OC
• InChI: InChI=1S/C38H44ClN5O5/c1-42(2)22-24-17-27-18-29(39)10-11-33(27)44(23-24)37(46)32(19-28-21-40-31-8-6-5-7-30(28)31)41-38(47)43-15-13-25(14-16-43)36(45)26-9-12-34(48-3)35(20-26)49-4/h5-12,18,20-21,24-25,32,40H,13-17,19,22-23H2,1-4H3,(H,41,47)/t24-,32-/m1/s1
• InChIKey: XLDDCTQKCIHNMH-GPNASLBKSA-N
• XLogP: 5.82
• TPSA: 107.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	686.25
LogP ≤ 5	5.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[(3R)-6-chloro-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-(3,4-dimethoxybenzoyl)piperidine-1-carboxamide?

The IUPAC name of N-[(2R)-1-[(3R)-6-chloro-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-(3,4-dimethoxybenzoyl)piperidine-1-carboxamide (CID 70105293) is N-[(2R)-1-[(3R)-6-chloro-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-(3,4-dimethoxybenzoyl)piperidine-1-carboxamide.

What is the SMILES notation for N-[(2R)-1-[(3R)-6-chloro-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-(3,4-dimethoxybenzoyl)piperidine-1-carboxamide?

The canonical SMILES for N-[(2R)-1-[(3R)-6-chloro-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-(3,4-dimethoxybenzoyl)piperidine-1-carboxamide is COc1ccc(C(=O)C2CCN(C(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)N3C[C@@H](CN(C)C)Cc4cc(Cl)ccc43)CC2)cc1OC.

What is the InChIKey of N-[(2R)-1-[(3R)-6-chloro-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-(3,4-dimethoxybenzoyl)piperidine-1-carboxamide?

The InChIKey is XLDDCTQKCIHNMH-GPNASLBKSA-N. The full InChI is InChI=1S/C38H44ClN5O5/c1-42(2)22-24-17-27-18-29(39)10-11-33(27)44(23-24)37(46)32(19-28-21-40-31-8-6-5-7-30(28)31)41-38(47)43-15-13-25(14-16-43)36(45)26-9-12-34(48-3)35(20-26)49-4/h5-12,18,20-21,24-25,32,40H,13-17,19,22-23H2,1-4H3,(H,41,47)/t24-,32-/m1/s1.

What are the key properties of N-[(2R)-1-[(3R)-6-chloro-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-(3,4-dimethoxybenzoyl)piperidine-1-carboxamide?

N-[(2R)-1-[(3R)-6-chloro-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-(3,4-dimethoxybenzoyl)piperidine-1-carboxamide has a molecular weight of 686.25 g/mol, XLogP of 5.82, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-1-[(3R)-6-chloro-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-(3,4-dimethoxybenzoyl)piperidine-1-carboxamide is sourced from PubChem (CID 70105293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).