N-tert-butyl-1-quinolin-4-ylpyrrolidine-3-carboxamide

C18H23N3O — CID 155800306

IUPACN-tert-butyl-1-quinolin-4-ylpyrrolidine-3-carboxamide
SMILESCC(C)(C)NC(=O)C1CCN(c2ccnc3ccccc23)C1
InChIInChI=1S/C18H23N3O/c1-18(2,3)20-17(22)13-9-11-21(12-13)16-8-10-19-15-7-5-4-6-14(15)16/h4-8,10,13H,9,11-12H2,1-3H3,(H,20,22)
InChIKeyQQAGDRCFDWOUIE-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.98
Rot. Bonds2

About N-tert-butyl-1-quinolin-4-ylpyrrolidine-3-carboxamide

N-tert-butyl-1-quinolin-4-ylpyrrolidine-3-carboxamide (PubChem CID 155800306) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is N-tert-butyl-1-quinolin-4-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-1-quinolin-4-ylpyrrolidine-3-carboxamide
PubChem CID155800306
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC NameN-tert-butyl-1-quinolin-4-ylpyrrolidine-3-carboxamide
SMILESCC(C)(C)NC(=O)C1CCN(c2ccnc3ccccc23)C1
InChIInChI=1S/C18H23N3O/c1-18(2,3)20-17(22)13-9-11-21(12-13)16-8-10-19-15-7-5-4-6-14(15)16/h4-8,10,13H,9,11-12H2,1-3H3,(H,20,22)
InChIKeyQQAGDRCFDWOUIE-UHFFFAOYSA-N
XLogP2.98
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-quinolin-4-ylpiperidin-4-yl)ethanone
CID 63845490
(1-quinolin-4-ylpyrrolidin-3-yl)-thiomorpholin-4-ylmethanone
CID 165435539
N-tert-butyl-1-(3-methoxy-2-pyridinyl)pyrrolidine-3-carboxamide
CID 172899385
N-tert-butyl-1-(2-cyano-3-pyridinyl)pyrrolidine-3-carboxamide
CID 155974197
tert-butyl N-methyl-N-(1-quinolin-4-ylpiperidin-4-yl)carbamate
CID 172826509
N-tert-butyl-1-(4-methyl-3-oxopyrazin-2-yl)pyrrolidine-3-carboxamide
CID 155799700
N-[5-(4-quinolin-4-ylpiperazin-1-yl)-2-pyridinyl]cyclopropanecarboxamide
CID 163357165
N-tert-butyl-1-(5-methyl-2-pyridinyl)pyrrolidine-3-carboxamide
CID 172890921
2-(1-quinolin-4-ylpiperidin-4-yl)ethanesulfonic acid
CID 175185586
1-(1-quinolin-4-ylpiperidin-2-yl)ethanone
CID 55258345
4-[4-(2-methylsulfanylethyl)piperidin-1-yl]quinoline
CID 157041181
N-tert-butyl-1-(4-cyanoquinolin-2-yl)piperidine-3-carboxamide
CID 165435188

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-quinolin-4-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-tert-butyl-1-quinolin-4-ylpyrrolidine-3-carboxamide (CID 155800306) is N-tert-butyl-1-quinolin-4-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-1-quinolin-4-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-tert-butyl-1-quinolin-4-ylpyrrolidine-3-carboxamide is CC(C)(C)NC(=O)C1CCN(c2ccnc3ccccc23)C1.
What is the InChIKey of N-tert-butyl-1-quinolin-4-ylpyrrolidine-3-carboxamide?
The InChIKey is QQAGDRCFDWOUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-18(2,3)20-17(22)13-9-11-21(12-13)16-8-10-19-15-7-5-4-6-14(15)16/h4-8,10,13H,9,11-12H2,1-3H3,(H,20,22).
What are the key properties of N-tert-butyl-1-quinolin-4-ylpyrrolidine-3-carboxamide?
N-tert-butyl-1-quinolin-4-ylpyrrolidine-3-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-quinolin-4-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 155800306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).