4-(dimethylamino)-N-[2-(oxolan-3-ylmethoxy)ethyl]quinoline-3-carboxamide

C19H25N3O3 — CID 154795196

IUPAC4-(dimethylamino)-N-[2-(oxolan-3-ylmethoxy)ethyl]quinoline-3-carboxamide
SMILESCN(C)c1c(C(=O)NCCOCC2CCOC2)cnc2ccccc12
InChIInChI=1S/C19H25N3O3/c1-22(2)18-15-5-3-4-6-17(15)21-11-16(18)19(23)20-8-10-25-13-14-7-9-24-12-14/h3-6,11,14H,7-10,12-13H2,1-2H3,(H,20,23)
InChIKeyNDQRHHFQDZOGBQ-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.08
Rot. Bonds7

About 4-(dimethylamino)-N-[2-(oxolan-3-ylmethoxy)ethyl]quinoline-3-carboxamide

4-(dimethylamino)-N-[2-(oxolan-3-ylmethoxy)ethyl]quinoline-3-carboxamide (PubChem CID 154795196) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[2-(oxolan-3-ylmethoxy)ethyl]quinoline-3-carboxamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[2-(oxolan-3-ylmethoxy)ethyl]quinoline-3-carboxamide
PubChem CID154795196
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name4-(dimethylamino)-N-[2-(oxolan-3-ylmethoxy)ethyl]quinoline-3-carboxamide
SMILESCN(C)c1c(C(=O)NCCOCC2CCOC2)cnc2ccccc12
InChIInChI=1S/C19H25N3O3/c1-22(2)18-15-5-3-4-6-17(15)21-11-16(18)19(23)20-8-10-25-13-14-7-9-24-12-14/h3-6,11,14H,7-10,12-13H2,1-2H3,(H,20,23)
InChIKeyNDQRHHFQDZOGBQ-UHFFFAOYSA-N
XLogP2.08
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-Quinolinecarboxamide
CID 15561101
Mmb-chmica
CID 125181392
N-[2-oxo-2-[(2S)-2-[2-oxo-2-(pentylamino)acetyl]pyrrolidin-1-yl]ethyl]quinoline-4-carboxamide
CID 164611848
tert-butyl 2-[[2-oxo-2-[(2S)-1-[2-(quinoline-4-carbonylamino)acetyl]pyrrolidin-2-yl]acetyl]amino]acetate
CID 164628984
1H-indol-3-yl(morpholino)methanone
CID 1481812
1-(1H-indol-3-yl)-2-morpholin-4-yl-2-oxoethanone
CID 1712511
2-(1H-indol-3-yl)-N-[2-(morpholin-4-yl)ethyl]-2-oxoacetamide
CID 3163724
Amb-chmica
CID 121494125
5-Fluoro emb-pica
CID 155907803
N-{1-[2-(morpholin-4-yl)ethyl]-3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]-1H-indol-4-yl}acetamide
CID 24768503
ethyl 2-[[2-oxo-2-[(2S)-1-[2-(quinoline-4-carbonylamino)acetyl]pyrrolidin-2-yl]acetyl]amino]acetate
CID 164621444
N-[2-[(2S)-2-[2-[(2-morpholin-4-yl-2-oxoethyl)amino]-2-oxoacetyl]pyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide
CID 164622848

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[2-(oxolan-3-ylmethoxy)ethyl]quinoline-3-carboxamide?
The IUPAC name of 4-(dimethylamino)-N-[2-(oxolan-3-ylmethoxy)ethyl]quinoline-3-carboxamide (CID 154795196) is 4-(dimethylamino)-N-[2-(oxolan-3-ylmethoxy)ethyl]quinoline-3-carboxamide.
What is the SMILES notation for 4-(dimethylamino)-N-[2-(oxolan-3-ylmethoxy)ethyl]quinoline-3-carboxamide?
The canonical SMILES for 4-(dimethylamino)-N-[2-(oxolan-3-ylmethoxy)ethyl]quinoline-3-carboxamide is CN(C)c1c(C(=O)NCCOCC2CCOC2)cnc2ccccc12.
What is the InChIKey of 4-(dimethylamino)-N-[2-(oxolan-3-ylmethoxy)ethyl]quinoline-3-carboxamide?
The InChIKey is NDQRHHFQDZOGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-22(2)18-15-5-3-4-6-17(15)21-11-16(18)19(23)20-8-10-25-13-14-7-9-24-12-14/h3-6,11,14H,7-10,12-13H2,1-2H3,(H,20,23).
What are the key properties of 4-(dimethylamino)-N-[2-(oxolan-3-ylmethoxy)ethyl]quinoline-3-carboxamide?
4-(dimethylamino)-N-[2-(oxolan-3-ylmethoxy)ethyl]quinoline-3-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[2-(oxolan-3-ylmethoxy)ethyl]quinoline-3-carboxamide is sourced from PubChem (CID 154795196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).