[2-(methylamino)quinolin-4-yl]-pyrrolidin-1-ylmethanone

C15H17N3O — CID 62170916

IUPAC[2-(methylamino)quinolin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCNc1cc(C(=O)N2CCCC2)c2ccccc2n1
InChIInChI=1S/C15H17N3O/c1-16-14-10-12(15(19)18-8-4-5-9-18)11-6-2-3-7-13(11)17-14/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,16,17)
InChIKeySSSHKEQGNYNSEW-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.51
Rot. Bonds2

About [2-(methylamino)quinolin-4-yl]-pyrrolidin-1-ylmethanone

[2-(methylamino)quinolin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 62170916) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is [2-(methylamino)quinolin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(methylamino)quinolin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID62170916
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name[2-(methylamino)quinolin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCNc1cc(C(=O)N2CCCC2)c2ccccc2n1
InChIInChI=1S/C15H17N3O/c1-16-14-10-12(15(19)18-8-4-5-9-18)11-6-2-3-7-13(11)17-14/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,16,17)
InChIKeySSSHKEQGNYNSEW-UHFFFAOYSA-N
XLogP2.51
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(methylamino)quinolin-4-yl]-(1,4-oxazepan-4-yl)methanone
CID 62968729
(3,4-dihydroxypyrrolidin-1-yl)-[2-(methylamino)quinolin-4-yl]methanone
CID 106673774
(3,4-dimethylpyrrolidin-1-yl)-[2-(methylamino)quinolin-4-yl]methanone
CID 79179423
2-(methylamino)-N-piperidin-1-ylquinoline-4-carboxamide
CID 83016827
(2-aminoquinolin-4-yl)-(azepan-1-yl)methanone
CID 62154164
[2-(hydroxymethyl)pyrrolidin-1-yl]-[2-(methylamino)quinolin-4-yl]methanone
CID 62173431
N-[4-[4-(pyrrolidine-1-carbonyl)quinolin-2-yl]phenyl]acetamide
CID 50816149
[2-(methylamino)quinolin-4-yl]-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone
CID 95772487
[2-(3-methylphenyl)quinolin-4-yl]-piperidin-1-ylmethanone
CID 3533983
piperidin-1-yl-(2-pyridin-2-ylquinolin-4-yl)methanone
CID 13336341
[4-[2-(2-methylphenyl)quinoline-4-carbonyl]-1,4-diazepan-1-yl]-[2-(2-methylphenyl)quinolin-4-yl]methanone
CID 3532742
(2-pyridin-3-ylquinolin-4-yl)-pyrrolidin-1-ylmethanone
CID 3412131

Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)quinolin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-(methylamino)quinolin-4-yl]-pyrrolidin-1-ylmethanone (CID 62170916) is [2-(methylamino)quinolin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-(methylamino)quinolin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-(methylamino)quinolin-4-yl]-pyrrolidin-1-ylmethanone is CNc1cc(C(=O)N2CCCC2)c2ccccc2n1.
What is the InChIKey of [2-(methylamino)quinolin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is SSSHKEQGNYNSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-16-14-10-12(15(19)18-8-4-5-9-18)11-6-2-3-7-13(11)17-14/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,16,17).
What are the key properties of [2-(methylamino)quinolin-4-yl]-pyrrolidin-1-ylmethanone?
[2-(methylamino)quinolin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 255.32 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)quinolin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 62170916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).