N-(3-morpholin-4-yl-3-oxopropyl)quinoline-2-carboxamide

C17H19N3O3 — CID 46598471

IUPACN-(3-morpholin-4-yl-3-oxopropyl)quinoline-2-carboxamide
SMILESO=C(NCCC(=O)N1CCOCC1)c1ccc2ccccc2n1
InChIInChI=1S/C17H19N3O3/c21-16(20-9-11-23-12-10-20)7-8-18-17(22)15-6-5-13-3-1-2-4-14(13)19-15/h1-6H,7-12H2,(H,18,22)
InChIKeyCBAXJDFPGPWMBZ-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.21
Rot. Bonds4

About N-(3-morpholin-4-yl-3-oxopropyl)quinoline-2-carboxamide

N-(3-morpholin-4-yl-3-oxopropyl)quinoline-2-carboxamide (PubChem CID 46598471) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-(3-morpholin-4-yl-3-oxopropyl)quinoline-2-carboxamide.

Molecular Properties

Compound NameN-(3-morpholin-4-yl-3-oxopropyl)quinoline-2-carboxamide
PubChem CID46598471
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC NameN-(3-morpholin-4-yl-3-oxopropyl)quinoline-2-carboxamide
SMILESO=C(NCCC(=O)N1CCOCC1)c1ccc2ccccc2n1
InChIInChI=1S/C17H19N3O3/c21-16(20-9-11-23-12-10-20)7-8-18-17(22)15-6-5-13-3-1-2-4-14(13)19-15/h1-6H,7-12H2,(H,18,22)
InChIKeyCBAXJDFPGPWMBZ-UHFFFAOYSA-N
XLogP1.21
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(quinoline-2-carbonylamino)propyl]quinoline-2-carboxamide
CID 11603405
N-[(2S)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]quinoline-2-carboxamide
CID 6723977
N-[6-(quinoline-2-carbonylamino)hexyl]quinoline-2-carboxamide
CID 139197064
2-[(3-morpholin-4-yl-3-oxopropyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116697423
N-(3-morpholin-4-yl-3-oxopropyl)-2-phenylacetamide
CID 29418767
N-(3-pyrrolidin-1-ylpropyl)quinoline-2-carboxamide
CID 51110395
N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]quinoline-2-carboxamide
CID 90491761
N-[3-(4-methylpiperazin-1-yl)propyl]quinoline-2-carboxamide
CID 51073449
N-[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]quinoline-2-carboxamide
CID 94083483
4-fluoro-N-(3-morpholin-4-yl-3-oxopropyl)benzamide
CID 46577163
N-(3-morpholin-4-yl-3-oxopropyl)-2-propan-2-ylsulfanylbenzamide
CID 51091605
N-[2-(2-hydroxyethoxy)ethyl]quinoline-2-carboxamide
CID 60670699

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-yl-3-oxopropyl)quinoline-2-carboxamide?
The IUPAC name of N-(3-morpholin-4-yl-3-oxopropyl)quinoline-2-carboxamide (CID 46598471) is N-(3-morpholin-4-yl-3-oxopropyl)quinoline-2-carboxamide.
What is the SMILES notation for N-(3-morpholin-4-yl-3-oxopropyl)quinoline-2-carboxamide?
The canonical SMILES for N-(3-morpholin-4-yl-3-oxopropyl)quinoline-2-carboxamide is O=C(NCCC(=O)N1CCOCC1)c1ccc2ccccc2n1.
What is the InChIKey of N-(3-morpholin-4-yl-3-oxopropyl)quinoline-2-carboxamide?
The InChIKey is CBAXJDFPGPWMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c21-16(20-9-11-23-12-10-20)7-8-18-17(22)15-6-5-13-3-1-2-4-14(13)19-15/h1-6H,7-12H2,(H,18,22).
What are the key properties of N-(3-morpholin-4-yl-3-oxopropyl)quinoline-2-carboxamide?
N-(3-morpholin-4-yl-3-oxopropyl)quinoline-2-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-yl-3-oxopropyl)quinoline-2-carboxamide is sourced from PubChem (CID 46598471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).