(6-amino-2-methylquinolin-4-yl)-piperidin-1-ylmethanone

C16H19N3O — CID 110489432

IUPAC(6-amino-2-methylquinolin-4-yl)-piperidin-1-ylmethanone
SMILESCc1cc(C(=O)N2CCCCC2)c2cc(N)ccc2n1
InChIInChI=1S/C16H19N3O/c1-11-9-14(16(20)19-7-3-2-4-8-19)13-10-12(17)5-6-15(13)18-11/h5-6,9-10H,2-4,7-8,17H2,1H3
InChIKeyYXNAQQQONCYIQN-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.75
Rot. Bonds1

About (6-amino-2-methylquinolin-4-yl)-piperidin-1-ylmethanone

(6-amino-2-methylquinolin-4-yl)-piperidin-1-ylmethanone (PubChem CID 110489432) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is (6-amino-2-methylquinolin-4-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(6-amino-2-methylquinolin-4-yl)-piperidin-1-ylmethanone
PubChem CID110489432
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name(6-amino-2-methylquinolin-4-yl)-piperidin-1-ylmethanone
SMILESCc1cc(C(=O)N2CCCCC2)c2cc(N)ccc2n1
InChIInChI=1S/C16H19N3O/c1-11-9-14(16(20)19-7-3-2-4-8-19)13-10-12(17)5-6-15(13)18-11/h5-6,9-10H,2-4,7-8,17H2,1H3
InChIKeyYXNAQQQONCYIQN-UHFFFAOYSA-N
XLogP2.75
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

azepan-1-yl-(6-fluoro-2-methylquinolin-4-yl)methanone
CID 4732287
2-[4-(2,6-dimethylquinoline-4-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 35614892
(2,8-dimethylquinolin-4-yl)-piperidin-1-ylmethanone
CID 50765986
(6-chloro-2-methylquinolin-4-yl)-piperazin-1-ylmethanone
CID 82449120
(6-bromo-2-methylquinolin-4-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119560432
[(3R)-3-aminopiperidin-1-yl]-(6-bromo-2-methylquinolin-4-yl)methanone
CID 124593306
(2-aminoquinolin-4-yl)-(azepan-1-yl)methanone
CID 62154164
6-amino-N-ethyl-2-methylquinoline-4-carboxamide
CID 110489395
6-amino-N,N-diethyl-2-methylquinoline-4-carboxamide
CID 110489421
piperidin-1-yl-(2,6,8-trimethylquinolin-4-yl)methanone
CID 46291566
(4-methylpiperazin-1-yl)-(2-methylquinolin-4-yl)methanone
CID 60634828
1-(2-methylquinoline-4-carbonyl)piperidine-4-carboxylic acid
CID 24698090

Frequently Asked Questions

What is the IUPAC name of (6-amino-2-methylquinolin-4-yl)-piperidin-1-ylmethanone?
The IUPAC name of (6-amino-2-methylquinolin-4-yl)-piperidin-1-ylmethanone (CID 110489432) is (6-amino-2-methylquinolin-4-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (6-amino-2-methylquinolin-4-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (6-amino-2-methylquinolin-4-yl)-piperidin-1-ylmethanone is Cc1cc(C(=O)N2CCCCC2)c2cc(N)ccc2n1.
What is the InChIKey of (6-amino-2-methylquinolin-4-yl)-piperidin-1-ylmethanone?
The InChIKey is YXNAQQQONCYIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-11-9-14(16(20)19-7-3-2-4-8-19)13-10-12(17)5-6-15(13)18-11/h5-6,9-10H,2-4,7-8,17H2,1H3.
What are the key properties of (6-amino-2-methylquinolin-4-yl)-piperidin-1-ylmethanone?
(6-amino-2-methylquinolin-4-yl)-piperidin-1-ylmethanone has a molecular weight of 269.35 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-2-methylquinolin-4-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 110489432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).