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-phenoxypiperidine-1-carboxamide

C35H40ClN5O3 — CID 70103731

IUPACN-[(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-phenoxypiperidine-1-carboxamide
SMILESCN(C)C[C@H]1Cc2cc(Cl)ccc2N(C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)N2CCC(Oc3ccccc3)CC2)C1
InChIInChI=1S/C35H40ClN5O3/c1-39(2)22-24-18-25-19-27(36)12-13-33(25)41(23-24)34(42)32(20-26-21-37-31-11-7-6-10-30(26)31)38-35(43)40-16-14-29(15-17-40)44-28-8-4-3-5-9-28/h3-13,19,21,24,29,32,37H,14-18,20,22-23H2,1-2H3,(H,38,43)/t24-,32-/m1/s1
InChIKeyVJULREKBSWOBPZ-GPNASLBKSA-N
MW614.19 g/mol
LogP5.75
Rot. Bonds8

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-phenoxypiperidine-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-phenoxypiperidine-1-carboxamide (PubChem CID 70103731) has the molecular formula C35H40ClN5O3 and a molecular weight of 614.19 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-phenoxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(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-phenoxypiperidine-1-carboxamide
PubChem CID70103731
Molecular FormulaC35H40ClN5O3
Molecular Weight614.19 g/mol
Exact Mass613.28
IUPAC NameN-[(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-phenoxypiperidine-1-carboxamide
SMILESCN(C)C[C@H]1Cc2cc(Cl)ccc2N(C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)N2CCC(Oc3ccccc3)CC2)C1
InChIInChI=1S/C35H40ClN5O3/c1-39(2)22-24-18-25-19-27(36)12-13-33(25)41(23-24)34(42)32(20-26-21-37-31-11-7-6-10-30(26)31)38-35(43)40-16-14-29(15-17-40)44-28-8-4-3-5-9-28/h3-13,19,21,24,29,32,37H,14-18,20,22-23H2,1-2H3,(H,38,43)/t24-,32-/m1/s1
InChIKeyVJULREKBSWOBPZ-GPNASLBKSA-N
XLogP5.75
TPSA80.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.19
LogP ≤ 55.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 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-phenoxypiperidine-1-carboxamide with MolForge

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Related Compounds

N-[(2R)-1-[(3S)-6-chloro-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-(4-fluorophenoxy)piperidine-1-carboxamide
CID 70106133
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
1-acetyl-N-[(2R)-1-[(3S)-6-chloro-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 70107047
1-(1-benzofuran-2-carbonyl)-N-[(2R)-1-[6-chloro-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 139910658
N-[(2R)-1-[(3S)-6-chloro-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1-(4-methylbenzoyl)piperidine-4-carboxamide
CID 70107074
N-[(2R)-1-[(3R)-3-[(dimethylamino)methyl]-6-fluoro-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 70103413
1-(5-acetylthiophene-2-carbonyl)-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]piperidine-4-carboxamide
CID 70105827
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]-3-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]propanamide
CID 70106932
tert-butyl 4-[[(2R)-1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamoyl]piperazine-1-carboxylate
CID 59976397
1-benzoyl-N-[(2R)-1-[(3R)-3-[(dimethylamino)methyl]-6-methoxy-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 70199423
1-benzoyl-N-[1-[(3S)-3-[(dimethylamino)methyl]-6-methoxy-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 70237067
N-[(2R)-1-[(3R)-3-[(dimethylamino)methyl]-6-fluoro-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-(3-methyl-2-oxobenzimidazol-1-yl)piperidine-1-carboxamide
CID 70104718

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-phenoxypiperidine-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-phenoxypiperidine-1-carboxamide (CID 70103731) 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-phenoxypiperidine-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-phenoxypiperidine-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-phenoxypiperidine-1-carboxamide is CN(C)C[C@H]1Cc2cc(Cl)ccc2N(C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)N2CCC(Oc3ccccc3)CC2)C1.
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-phenoxypiperidine-1-carboxamide?
The InChIKey is VJULREKBSWOBPZ-GPNASLBKSA-N. The full InChI is InChI=1S/C35H40ClN5O3/c1-39(2)22-24-18-25-19-27(36)12-13-33(25)41(23-24)34(42)32(20-26-21-37-31-11-7-6-10-30(26)31)38-35(43)40-16-14-29(15-17-40)44-28-8-4-3-5-9-28/h3-13,19,21,24,29,32,37H,14-18,20,22-23H2,1-2H3,(H,38,43)/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-phenoxypiperidine-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-phenoxypiperidine-1-carboxamide has a molecular weight of 614.19 g/mol, XLogP of 5.75, 8 rotatable bonds, 2 hydrogen bond donors, and 4 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-phenoxypiperidine-1-carboxamide is sourced from PubChem (CID 70103731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).