N-[(2R)-1-(dipentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-8-hydroxyquinoline-2-carboxamide

C31H38N4O3 — CID 15104612

IUPACN-[(2R)-1-(dipentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-8-hydroxyquinoline-2-carboxamide
SMILESCCCCCN(CCCCC)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2cccc(O)c2n1
InChIInChI=1S/C31H38N4O3/c1-3-5-9-18-35(19-10-6-4-2)31(38)27(20-23-21-32-25-14-8-7-13-24(23)25)34-30(37)26-17-16-22-12-11-15-28(36)29(22)33-26/h7-8,11-17,21,27,32,36H,3-6,9-10,18-20H2,1-2H3,(H,34,37)/t27-/m1/s1
InChIKeyLHGMJXVEQYMJQE-HHHXNRCGSA-N
MW514.67 g/mol
LogP5.97
Rot. Bonds13

About N-[(2R)-1-(dipentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-8-hydroxyquinoline-2-carboxamide

N-[(2R)-1-(dipentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-8-hydroxyquinoline-2-carboxamide (PubChem CID 15104612) has the molecular formula C31H38N4O3 and a molecular weight of 514.67 g/mol. Its IUPAC name is N-[(2R)-1-(dipentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-8-hydroxyquinoline-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-(dipentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-8-hydroxyquinoline-2-carboxamide
PubChem CID15104612
Molecular FormulaC31H38N4O3
Molecular Weight514.67 g/mol
Exact Mass514.29
IUPAC NameN-[(2R)-1-(dipentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-8-hydroxyquinoline-2-carboxamide
SMILESCCCCCN(CCCCC)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2cccc(O)c2n1
InChIInChI=1S/C31H38N4O3/c1-3-5-9-18-35(19-10-6-4-2)31(38)27(20-23-21-32-25-14-8-7-13-24(23)25)34-30(37)26-17-16-22-12-11-15-28(36)29(22)33-26/h7-8,11-17,21,27,32,36H,3-6,9-10,18-20H2,1-2H3,(H,34,37)/t27-/m1/s1
InChIKeyLHGMJXVEQYMJQE-HHHXNRCGSA-N
XLogP5.97
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.67
LogP ≤ 55.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(2R)-1-(dipentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-8-hydroxyquinoline-2-carboxamide with MolForge

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Related Compounds

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CID 5311430
Cyt-1010
CID 44129692
ML324
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S-16020
CID 177330
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CID 44451665
c[L-mTyr-D-pro-L-Phe-D-trp]
CID 44583376
c[L-Phe-D-pro-L-mTyr-D-trp]
CID 44583386
(1-Chloro-4-Hydroxyisoquinoline-3-Carbonyl)-L-Tryptophan
CID 73292541
5-((R)-2-((R)-2-hydroxy-2-(4-hydroxy-3-(hydroxymethyl)phenyl)ethylamino)propyl)-N-(pyridin-2-ylmethyl)-1H-indole-2-carboxamide
CID 10027868
3-{4-[4-(4-Hydroxy-phenyl)-piperazin-1-yl]-butyl}-1H-indole-5-carboxylic acid amide
CID 11429291
N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]benzamide
CID 2871881
N-[(8-Hydroxyquinolin-7-YL)(4-methylphenyl)methyl]benzamide
CID 2871966

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(dipentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-8-hydroxyquinoline-2-carboxamide?
The IUPAC name of N-[(2R)-1-(dipentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-8-hydroxyquinoline-2-carboxamide (CID 15104612) is N-[(2R)-1-(dipentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-8-hydroxyquinoline-2-carboxamide.
What is the SMILES notation for N-[(2R)-1-(dipentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-8-hydroxyquinoline-2-carboxamide?
The canonical SMILES for N-[(2R)-1-(dipentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-8-hydroxyquinoline-2-carboxamide is CCCCCN(CCCCC)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2cccc(O)c2n1.
What is the InChIKey of N-[(2R)-1-(dipentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-8-hydroxyquinoline-2-carboxamide?
The InChIKey is LHGMJXVEQYMJQE-HHHXNRCGSA-N. The full InChI is InChI=1S/C31H38N4O3/c1-3-5-9-18-35(19-10-6-4-2)31(38)27(20-23-21-32-25-14-8-7-13-24(23)25)34-30(37)26-17-16-22-12-11-15-28(36)29(22)33-26/h7-8,11-17,21,27,32,36H,3-6,9-10,18-20H2,1-2H3,(H,34,37)/t27-/m1/s1.
What are the key properties of N-[(2R)-1-(dipentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-8-hydroxyquinoline-2-carboxamide?
N-[(2R)-1-(dipentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-8-hydroxyquinoline-2-carboxamide has a molecular weight of 514.67 g/mol, XLogP of 5.97, 13 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(dipentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-8-hydroxyquinoline-2-carboxamide is sourced from PubChem (CID 15104612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).