methyl 1-(6-pyrrolidin-1-ylpyridine-3-carbonyl)-3,4-dihydro-2H-quinoline-4-carboxylate

C21H23N3O3 — CID 75395498

IUPACmethyl 1-(6-pyrrolidin-1-ylpyridine-3-carbonyl)-3,4-dihydro-2H-quinoline-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2ccc(N3CCCC3)nc2)c2ccccc21
InChIInChI=1S/C21H23N3O3/c1-27-21(26)17-10-13-24(18-7-3-2-6-16(17)18)20(25)15-8-9-19(22-14-15)23-11-4-5-12-23/h2-3,6-9,14,17H,4-5,10-13H2,1H3
InChIKeySSSLXRQIFYDNTO-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.99
Rot. Bonds3

About methyl 1-(6-pyrrolidin-1-ylpyridine-3-carbonyl)-3,4-dihydro-2H-quinoline-4-carboxylate

methyl 1-(6-pyrrolidin-1-ylpyridine-3-carbonyl)-3,4-dihydro-2H-quinoline-4-carboxylate (PubChem CID 75395498) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is methyl 1-(6-pyrrolidin-1-ylpyridine-3-carbonyl)-3,4-dihydro-2H-quinoline-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(6-pyrrolidin-1-ylpyridine-3-carbonyl)-3,4-dihydro-2H-quinoline-4-carboxylate
PubChem CID75395498
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Namemethyl 1-(6-pyrrolidin-1-ylpyridine-3-carbonyl)-3,4-dihydro-2H-quinoline-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2ccc(N3CCCC3)nc2)c2ccccc21
InChIInChI=1S/C21H23N3O3/c1-27-21(26)17-10-13-24(18-7-3-2-6-16(17)18)20(25)15-8-9-19(22-14-15)23-11-4-5-12-23/h2-3,6-9,14,17H,4-5,10-13H2,1H3
InChIKeySSSLXRQIFYDNTO-UHFFFAOYSA-N
XLogP2.99
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 1-(6-pyrrolidin-1-ylpyridine-3-carbonyl)-3,4-dihydro-2H-quinoline-4-carboxylate with MolForge

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Related Compounds

methyl (4S)-1-[1-(4-chlorophenyl)pyrazole-4-carbonyl]-3,4-dihydro-2H-quinoline-4-carboxylate
CID 99629302
methyl 1-[1-(4-chlorophenyl)pyrazole-4-carbonyl]-3,4-dihydro-2H-quinoline-4-carboxylate
CID 119033594
methyl (4R)-1-(2-phenyltriazole-4-carbonyl)-3,4-dihydro-2H-quinoline-4-carboxylate
CID 97057176
methyl 2-[1-[5-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]piperidin-3-yl]-2-methylpropanoate
CID 133444559
methyl (2S,4R)-4-hydroxy-1-(6-pyrrolidin-1-ylpyridine-3-carbonyl)pyrrolidine-2-carboxylate
CID 75448003
methyl 1-(5-carbamoyl-2-pyridinyl)piperidine-3-carboxylate
CID 115538439
methyl 1-(4-cyano-1-methylpyrrole-2-carbonyl)-3,4-dihydro-2H-quinoline-4-carboxylate
CID 75391876
methyl (4R)-1-(4-cyano-1-methylpyrrole-2-carbonyl)-3,4-dihydro-2H-quinoline-4-carboxylate
CID 97057179
1-[4-[5-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]piperazin-1-yl]ethanone
CID 109155110
[4-(2-fluorophenyl)piperazin-1-yl]-(6-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 84571000
(4-benzylpiperidin-1-yl)-(6-piperidin-1-yl-3-pyridinyl)methanone
CID 109152306
6-piperidin-1-ylpyridine-3-carboxylic acid
CID 2794761

Frequently Asked Questions

What is the IUPAC name of methyl 1-(6-pyrrolidin-1-ylpyridine-3-carbonyl)-3,4-dihydro-2H-quinoline-4-carboxylate?
The IUPAC name of methyl 1-(6-pyrrolidin-1-ylpyridine-3-carbonyl)-3,4-dihydro-2H-quinoline-4-carboxylate (CID 75395498) is methyl 1-(6-pyrrolidin-1-ylpyridine-3-carbonyl)-3,4-dihydro-2H-quinoline-4-carboxylate.
What is the SMILES notation for methyl 1-(6-pyrrolidin-1-ylpyridine-3-carbonyl)-3,4-dihydro-2H-quinoline-4-carboxylate?
The canonical SMILES for methyl 1-(6-pyrrolidin-1-ylpyridine-3-carbonyl)-3,4-dihydro-2H-quinoline-4-carboxylate is COC(=O)C1CCN(C(=O)c2ccc(N3CCCC3)nc2)c2ccccc21.
What is the InChIKey of methyl 1-(6-pyrrolidin-1-ylpyridine-3-carbonyl)-3,4-dihydro-2H-quinoline-4-carboxylate?
The InChIKey is SSSLXRQIFYDNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-27-21(26)17-10-13-24(18-7-3-2-6-16(17)18)20(25)15-8-9-19(22-14-15)23-11-4-5-12-23/h2-3,6-9,14,17H,4-5,10-13H2,1H3.
What are the key properties of methyl 1-(6-pyrrolidin-1-ylpyridine-3-carbonyl)-3,4-dihydro-2H-quinoline-4-carboxylate?
methyl 1-(6-pyrrolidin-1-ylpyridine-3-carbonyl)-3,4-dihydro-2H-quinoline-4-carboxylate has a molecular weight of 365.43 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(6-pyrrolidin-1-ylpyridine-3-carbonyl)-3,4-dihydro-2H-quinoline-4-carboxylate is sourced from PubChem (CID 75395498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).