N-[1-(dipentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-8-hydroxy-4-oxo-1H-quinoline-2-carboxamide

C31H38N4O4 — CID 23129928

IUPACN-[1-(dipentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-8-hydroxy-4-oxo-1H-quinoline-2-carboxamide
SMILESCCCCCN(CCCCC)C(=O)C(Cc1c[nH]c2ccccc12)NC(=O)c1cc(=O)c2cccc(O)c2[nH]1
InChIInChI=1S/C31H38N4O4/c1-3-5-9-16-35(17-10-6-4-2)31(39)26(18-21-20-32-24-14-8-7-12-22(21)24)34-30(38)25-19-28(37)23-13-11-15-27(36)29(23)33-25/h7-8,11-15,19-20,26,32,36H,3-6,9-10,16-18H2,1-2H3,(H,33,37)(H,34,38)
InChIKeyBYIBEZIVVZSAAH-UHFFFAOYSA-N
MW530.67 g/mol
LogP5.27
Rot. Bonds13

About N-[1-(dipentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-8-hydroxy-4-oxo-1H-quinoline-2-carboxamide

N-[1-(dipentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-8-hydroxy-4-oxo-1H-quinoline-2-carboxamide (PubChem CID 23129928) has the molecular formula C31H38N4O4 and a molecular weight of 530.67 g/mol. Its IUPAC name is N-[1-(dipentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-8-hydroxy-4-oxo-1H-quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[1-(dipentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-8-hydroxy-4-oxo-1H-quinoline-2-carboxamide
PubChem CID23129928
Molecular FormulaC31H38N4O4
Molecular Weight530.67 g/mol
Exact Mass530.29
IUPAC NameN-[1-(dipentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-8-hydroxy-4-oxo-1H-quinoline-2-carboxamide
SMILESCCCCCN(CCCCC)C(=O)C(Cc1c[nH]c2ccccc12)NC(=O)c1cc(=O)c2cccc(O)c2[nH]1
InChIInChI=1S/C31H38N4O4/c1-3-5-9-16-35(17-10-6-4-2)31(39)26(18-21-20-32-24-14-8-7-12-22(21)24)34-30(38)25-19-28(37)23-13-11-15-27(36)29(23)33-25/h7-8,11-15,19-20,26,32,36H,3-6,9-10,16-18H2,1-2H3,(H,33,37)(H,34,38)
InChIKeyBYIBEZIVVZSAAH-UHFFFAOYSA-N
XLogP5.27
TPSA118.29 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.67
LogP ≤ 55.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[1-(dipentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-8-hydroxy-4-oxo-1H-quinoline-2-carboxamide with MolForge

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Related Compounds

Seglitide
CID 5311430
Endomorphin 1
CID 5311080
Cyt-1010
CID 44129692
Tyr-D-Ala-Gly-Trp-Nle-Asp-Phe-NH2
CID 10909103
Tyr-D-Nle-Gly-Trp-Nle-Asp-Phe-NH2
CID 11564210
H-Tyr-D-Ala-Gly-Phe-Pro-Leu-Trp-NH-Bzl
CID 24768353
Ac-RYYRWK-NH2
CID 9811889
c[L-Phe-D-pro-L-Tyr-D-trp]
CID 44583375
c[L-mTyr-D-pro-L-Phe-D-trp]
CID 44583376
c[L-Phe-D-pro-L-mTyr-D-trp]
CID 44583386
(2R)-2-amino-6-[[2-(6-hydroxy-1H-indol-3-yl)-2-oxoacetyl]amino]hexanoic acid
CID 71450757
L-Tyrosyl-L-prolyl-L-tryptophyl-L-phenylalanine
CID 54596311

Frequently Asked Questions

What is the IUPAC name of N-[1-(dipentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-8-hydroxy-4-oxo-1H-quinoline-2-carboxamide?
The IUPAC name of N-[1-(dipentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-8-hydroxy-4-oxo-1H-quinoline-2-carboxamide (CID 23129928) is N-[1-(dipentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-8-hydroxy-4-oxo-1H-quinoline-2-carboxamide.
What is the SMILES notation for N-[1-(dipentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-8-hydroxy-4-oxo-1H-quinoline-2-carboxamide?
The canonical SMILES for N-[1-(dipentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-8-hydroxy-4-oxo-1H-quinoline-2-carboxamide is CCCCCN(CCCCC)C(=O)C(Cc1c[nH]c2ccccc12)NC(=O)c1cc(=O)c2cccc(O)c2[nH]1.
What is the InChIKey of N-[1-(dipentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-8-hydroxy-4-oxo-1H-quinoline-2-carboxamide?
The InChIKey is BYIBEZIVVZSAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38N4O4/c1-3-5-9-16-35(17-10-6-4-2)31(39)26(18-21-20-32-24-14-8-7-12-22(21)24)34-30(38)25-19-28(37)23-13-11-15-27(36)29(23)33-25/h7-8,11-15,19-20,26,32,36H,3-6,9-10,16-18H2,1-2H3,(H,33,37)(H,34,38).
What are the key properties of N-[1-(dipentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-8-hydroxy-4-oxo-1H-quinoline-2-carboxamide?
N-[1-(dipentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-8-hydroxy-4-oxo-1H-quinoline-2-carboxamide has a molecular weight of 530.67 g/mol, XLogP of 5.27, 13 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dipentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-8-hydroxy-4-oxo-1H-quinoline-2-carboxamide is sourced from PubChem (CID 23129928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).