N-(3-morpholin-4-ylpropyl)-2-(2-oxo-1H-pyridin-3-yl)-3-quinolin-6-yl-1H-indole-5-carboxamide

C30H29N5O3 — CID 59508059

IUPACN-(3-morpholin-4-ylpropyl)-2-(2-oxo-1H-pyridin-3-yl)-3-quinolin-6-yl-1H-indole-5-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1ccc2[nH]c(-c3ccc[nH]c3=O)c(-c3ccc4ncccc4c3)c2c1
InChIInChI=1S/C30H29N5O3/c36-29(32-12-3-13-35-14-16-38-17-15-35)22-7-9-26-24(19-22)27(28(34-26)23-5-2-11-33-30(23)37)21-6-8-25-20(18-21)4-1-10-31-25/h1-2,4-11,18-19,34H,3,12-17H2,(H,32,36)(H,33,37)
InChIKeyKBRXBMMUFMAGAN-UHFFFAOYSA-N
MW507.59 g/mol
LogP4.19
Rot. Bonds7

About N-(3-morpholin-4-ylpropyl)-2-(2-oxo-1H-pyridin-3-yl)-3-quinolin-6-yl-1H-indole-5-carboxamide

N-(3-morpholin-4-ylpropyl)-2-(2-oxo-1H-pyridin-3-yl)-3-quinolin-6-yl-1H-indole-5-carboxamide (PubChem CID 59508059) has the molecular formula C30H29N5O3 and a molecular weight of 507.59 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-2-(2-oxo-1H-pyridin-3-yl)-3-quinolin-6-yl-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-2-(2-oxo-1H-pyridin-3-yl)-3-quinolin-6-yl-1H-indole-5-carboxamide
PubChem CID59508059
Molecular FormulaC30H29N5O3
Molecular Weight507.59 g/mol
Exact Mass507.23
IUPAC NameN-(3-morpholin-4-ylpropyl)-2-(2-oxo-1H-pyridin-3-yl)-3-quinolin-6-yl-1H-indole-5-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1ccc2[nH]c(-c3ccc[nH]c3=O)c(-c3ccc4ncccc4c3)c2c1
InChIInChI=1S/C30H29N5O3/c36-29(32-12-3-13-35-14-16-38-17-15-35)22-7-9-26-24(19-22)27(28(34-26)23-5-2-11-33-30(23)37)21-6-8-25-20(18-21)4-1-10-31-25/h1-2,4-11,18-19,34H,3,12-17H2,(H,32,36)(H,33,37)
InChIKeyKBRXBMMUFMAGAN-UHFFFAOYSA-N
XLogP4.19
TPSA103.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.59
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-2-(2-oxo-1H-pyridin-3-yl)-3-quinolin-6-yl-1H-indole-5-carboxamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-2-(2-oxo-1H-pyridin-3-yl)-3-quinolin-6-yl-1H-indole-5-carboxamide (CID 59508059) is N-(3-morpholin-4-ylpropyl)-2-(2-oxo-1H-pyridin-3-yl)-3-quinolin-6-yl-1H-indole-5-carboxamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-2-(2-oxo-1H-pyridin-3-yl)-3-quinolin-6-yl-1H-indole-5-carboxamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-2-(2-oxo-1H-pyridin-3-yl)-3-quinolin-6-yl-1H-indole-5-carboxamide is O=C(NCCCN1CCOCC1)c1ccc2[nH]c(-c3ccc[nH]c3=O)c(-c3ccc4ncccc4c3)c2c1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-2-(2-oxo-1H-pyridin-3-yl)-3-quinolin-6-yl-1H-indole-5-carboxamide?
The InChIKey is KBRXBMMUFMAGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N5O3/c36-29(32-12-3-13-35-14-16-38-17-15-35)22-7-9-26-24(19-22)27(28(34-26)23-5-2-11-33-30(23)37)21-6-8-25-20(18-21)4-1-10-31-25/h1-2,4-11,18-19,34H,3,12-17H2,(H,32,36)(H,33,37).
What are the key properties of N-(3-morpholin-4-ylpropyl)-2-(2-oxo-1H-pyridin-3-yl)-3-quinolin-6-yl-1H-indole-5-carboxamide?
N-(3-morpholin-4-ylpropyl)-2-(2-oxo-1H-pyridin-3-yl)-3-quinolin-6-yl-1H-indole-5-carboxamide has a molecular weight of 507.59 g/mol, XLogP of 4.19, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-2-(2-oxo-1H-pyridin-3-yl)-3-quinolin-6-yl-1H-indole-5-carboxamide is sourced from PubChem (CID 59508059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).