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

C39H43ClN6O3 — CID 134849690

IUPACN-[(2R)-1-[(3R)-6-chloro-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-2-yl)-1-oxopropan-2-yl]-1-(1-methylindole-2-carbonyl)piperidine-4-carboxamide
SMILESCN(C)C[C@H]1Cc2cc(Cl)ccc2N(C(=O)[C@@H](Cc2cc3ccccc3[nH]2)NC(=O)C2CCN(C(=O)c3cc4ccccc4n3C)CC2)C1
InChIInChI=1S/C39H43ClN6O3/c1-43(2)23-25-18-29-19-30(40)12-13-35(29)46(24-25)38(48)33(22-31-20-27-8-4-6-10-32(27)41-31)42-37(47)26-14-16-45(17-15-26)39(49)36-21-28-9-5-7-11-34(28)44(36)3/h4-13,19-21,25-26,33,41H,14-18,22-24H2,1-3H3,(H,42,47)/t25-,33-/m1/s1
InChIKeyLNTJQHLLLFZDQO-INJOXJOKSA-N
MW679.27 g/mol
LogP5.66
Rot. Bonds8

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

N-[(2R)-1-[(3R)-6-chloro-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-2-yl)-1-oxopropan-2-yl]-1-(1-methylindole-2-carbonyl)piperidine-4-carboxamide (PubChem CID 134849690) has the molecular formula C39H43ClN6O3 and a molecular weight of 679.27 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-2-yl)-1-oxopropan-2-yl]-1-(1-methylindole-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-[(3R)-6-chloro-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-2-yl)-1-oxopropan-2-yl]-1-(1-methylindole-2-carbonyl)piperidine-4-carboxamide
PubChem CID134849690
Molecular FormulaC39H43ClN6O3
Molecular Weight679.27 g/mol
Exact Mass678.31
IUPAC NameN-[(2R)-1-[(3R)-6-chloro-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-2-yl)-1-oxopropan-2-yl]-1-(1-methylindole-2-carbonyl)piperidine-4-carboxamide
SMILESCN(C)C[C@H]1Cc2cc(Cl)ccc2N(C(=O)[C@@H](Cc2cc3ccccc3[nH]2)NC(=O)C2CCN(C(=O)c3cc4ccccc4n3C)CC2)C1
InChIInChI=1S/C39H43ClN6O3/c1-43(2)23-25-18-29-19-30(40)12-13-35(29)46(24-25)38(48)33(22-31-20-27-8-4-6-10-32(27)41-31)42-37(47)26-14-16-45(17-15-26)39(49)36-21-28-9-5-7-11-34(28)44(36)3/h4-13,19-21,25-26,33,41H,14-18,22-24H2,1-3H3,(H,42,47)/t25-,33-/m1/s1
InChIKeyLNTJQHLLLFZDQO-INJOXJOKSA-N
XLogP5.66
TPSA93.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.27
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Launch Full Analysis

Related Compounds

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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-2-yl)-1-oxopropan-2-yl]-1-(1-methylindole-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[(2R)-1-[(3R)-6-chloro-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-2-yl)-1-oxopropan-2-yl]-1-(1-methylindole-2-carbonyl)piperidine-4-carboxamide (CID 134849690) is N-[(2R)-1-[(3R)-6-chloro-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-2-yl)-1-oxopropan-2-yl]-1-(1-methylindole-2-carbonyl)piperidine-4-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-2-yl)-1-oxopropan-2-yl]-1-(1-methylindole-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(2R)-1-[(3R)-6-chloro-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-2-yl)-1-oxopropan-2-yl]-1-(1-methylindole-2-carbonyl)piperidine-4-carboxamide is CN(C)C[C@H]1Cc2cc(Cl)ccc2N(C(=O)[C@@H](Cc2cc3ccccc3[nH]2)NC(=O)C2CCN(C(=O)c3cc4ccccc4n3C)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-2-yl)-1-oxopropan-2-yl]-1-(1-methylindole-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is LNTJQHLLLFZDQO-INJOXJOKSA-N. The full InChI is InChI=1S/C39H43ClN6O3/c1-43(2)23-25-18-29-19-30(40)12-13-35(29)46(24-25)38(48)33(22-31-20-27-8-4-6-10-32(27)41-31)42-37(47)26-14-16-45(17-15-26)39(49)36-21-28-9-5-7-11-34(28)44(36)3/h4-13,19-21,25-26,33,41H,14-18,22-24H2,1-3H3,(H,42,47)/t25-,33-/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-2-yl)-1-oxopropan-2-yl]-1-(1-methylindole-2-carbonyl)piperidine-4-carboxamide?
N-[(2R)-1-[(3R)-6-chloro-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-2-yl)-1-oxopropan-2-yl]-1-(1-methylindole-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 679.27 g/mol, XLogP of 5.66, 8 rotatable bonds, 2 hydrogen bond donors, and 5 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-2-yl)-1-oxopropan-2-yl]-1-(1-methylindole-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 134849690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).