methyl 1-(3-pyridin-3-ylpyrrolidine-1-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylate

C21H23N3O3 — CID 67188217

IUPACmethyl 1-(3-pyridin-3-ylpyrrolidine-1-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylate
SMILESCOC(=O)c1ccc2c(c1)CCCN2C(=O)N1CCC(c2cccnc2)C1
InChIInChI=1S/C21H23N3O3/c1-27-20(25)16-6-7-19-15(12-16)5-3-10-24(19)21(26)23-11-8-18(14-23)17-4-2-9-22-13-17/h2,4,6-7,9,12-13,18H,3,5,8,10-11,14H2,1H3
InChIKeyHNFVIGZGOCTTQD-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.23
Rot. Bonds2

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

methyl 1-(3-pyridin-3-ylpyrrolidine-1-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylate (PubChem CID 67188217) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is methyl 1-(3-pyridin-3-ylpyrrolidine-1-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-pyridin-3-ylpyrrolidine-1-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylate
PubChem CID67188217
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Namemethyl 1-(3-pyridin-3-ylpyrrolidine-1-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylate
SMILESCOC(=O)c1ccc2c(c1)CCCN2C(=O)N1CCC(c2cccnc2)C1
InChIInChI=1S/C21H23N3O3/c1-27-20(25)16-6-7-19-15(12-16)5-3-10-24(19)21(26)23-11-8-18(14-23)17-4-2-9-22-13-17/h2,4,6-7,9,12-13,18H,3,5,8,10-11,14H2,1H3
InChIKeyHNFVIGZGOCTTQD-UHFFFAOYSA-N
XLogP3.23
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl quinoline-6-carboxylate
CID 736812
Nampt activator-1
CID 969968
Ethyl 4-(3-(pyridin-3-ylmethyl)ureido)benzoate
CID 6470978
6-Quinolinecarboxylic acid, ethyl ester
CID 94670
Methyl 4-({[2-(pyridin-4-yl)quinolin-4-yl]carbonyl}amino)benzoate
CID 2327757
1-[1-(1-methylindole-5-carbonyl)piperidin-4-yl]-4H-3,1-benzoxazin-2-one
CID 44279330
Methyl 4-[[4-(quinolin-3-ylmethyl)piperazine-1-carbonyl]amino]benzoate
CID 11647095
1-Methylpiperidin-4-yl quinoline-6-carboxylate--hydrogen chloride (1/1)
CID 12403523
Propyl 4-({[(pyridin-3-yl)methyl]carbamoyl}amino)benzoate
CID 47040028
Ethyl 4-(1-pyridin-4-ylethylcarbamoylamino)benzoate
CID 133588913
Methyl 4-[(4-hydroxy-4-pyridin-3-ylpiperidine-1-carbonyl)amino]benzoate
CID 1446442
ethyl 4-pyridin-3-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylate
CID 2973216

Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-pyridin-3-ylpyrrolidine-1-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylate?
The IUPAC name of methyl 1-(3-pyridin-3-ylpyrrolidine-1-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylate (CID 67188217) is methyl 1-(3-pyridin-3-ylpyrrolidine-1-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylate.
What is the SMILES notation for methyl 1-(3-pyridin-3-ylpyrrolidine-1-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylate?
The canonical SMILES for methyl 1-(3-pyridin-3-ylpyrrolidine-1-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylate is COC(=O)c1ccc2c(c1)CCCN2C(=O)N1CCC(c2cccnc2)C1.
What is the InChIKey of methyl 1-(3-pyridin-3-ylpyrrolidine-1-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylate?
The InChIKey is HNFVIGZGOCTTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-27-20(25)16-6-7-19-15(12-16)5-3-10-24(19)21(26)23-11-8-18(14-23)17-4-2-9-22-13-17/h2,4,6-7,9,12-13,18H,3,5,8,10-11,14H2,1H3.
What are the key properties of methyl 1-(3-pyridin-3-ylpyrrolidine-1-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylate?
methyl 1-(3-pyridin-3-ylpyrrolidine-1-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylate has a molecular weight of 365.43 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-pyridin-3-ylpyrrolidine-1-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylate is sourced from PubChem (CID 67188217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).