6-methoxy-N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]-4-oxo-1H-quinoline-3-carboxamide

C19H25N3O3 — CID 95207704

IUPAC6-methoxy-N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESCOc1ccc2[nH]cc(C(=O)NCC[C@@H]3CCCN(C)C3)c(=O)c2c1
InChIInChI=1S/C19H25N3O3/c1-22-9-3-4-13(12-22)7-8-20-19(24)16-11-21-17-6-5-14(25-2)10-15(17)18(16)23/h5-6,10-11,13H,3-4,7-9,12H2,1-2H3,(H,20,24)(H,21,23)/t13-/m0/s1
InChIKeyAACCEEKSLATUOL-ZDUSSCGKSA-N
MW343.43 g/mol
LogP2.00
Rot. Bonds5

About 6-methoxy-N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]-4-oxo-1H-quinoline-3-carboxamide

6-methoxy-N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 95207704) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 6-methoxy-N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]-4-oxo-1H-quinoline-3-carboxamide
PubChem CID95207704
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name6-methoxy-N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESCOc1ccc2[nH]cc(C(=O)NCC[C@@H]3CCCN(C)C3)c(=O)c2c1
InChIInChI=1S/C19H25N3O3/c1-22-9-3-4-13(12-22)7-8-20-19(24)16-11-21-17-6-5-14(25-2)10-15(17)18(16)23/h5-6,10-11,13H,3-4,7-9,12H2,1-2H3,(H,20,24)(H,21,23)/t13-/m0/s1
InChIKeyAACCEEKSLATUOL-ZDUSSCGKSA-N
XLogP2.00
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxyethyl)-6-methoxy-4-oxo-1H-quinoline-3-carboxamide
CID 43813799
6-methoxy-N-(2-morpholin-4-ylethyl)-4-oxo-1H-quinoline-3-carboxamide
CID 91639821
diethyl-[2-[(6-methoxy-4-oxo-1H-quinoline-3-carbonyl)amino]ethyl]azanium
CID 7391278
6-methoxy-4-oxo-1H-quinoline-3-carbohydrazide
CID 95233454
N-benzyl-6-methoxy-4-oxo-1H-quinoline-3-carboxamide
CID 18473067
6-fluoro-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 74232291
4-chloro-2-methoxy-N-[2-(1-methylpiperidin-3-yl)ethyl]benzamide
CID 56716852
1,6-dimethyl-N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]-4-oxoquinoline-3-carboxamide
CID 95222672
1,6-dimethyl-N-[2-[(3R)-1-methylpiperidin-3-yl]ethyl]-4-oxoquinoline-3-carboxamide
CID 95222673
6-ethoxy-N-(3-methylbutyl)-4-oxo-1H-quinoline-3-carboxamide
CID 18473151
6-methoxy-4-oxo-1H-quinoline-3-carbonyl chloride
CID 172818183
6-methoxy-4-oxo-N-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-quinoline-3-carboxamide
CID 43831697

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of 6-methoxy-N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]-4-oxo-1H-quinoline-3-carboxamide (CID 95207704) is 6-methoxy-N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for 6-methoxy-N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for 6-methoxy-N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]-4-oxo-1H-quinoline-3-carboxamide is COc1ccc2[nH]cc(C(=O)NCC[C@@H]3CCCN(C)C3)c(=O)c2c1.
What is the InChIKey of 6-methoxy-N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is AACCEEKSLATUOL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-22-9-3-4-13(12-22)7-8-20-19(24)16-11-21-17-6-5-14(25-2)10-15(17)18(16)23/h5-6,10-11,13H,3-4,7-9,12H2,1-2H3,(H,20,24)(H,21,23)/t13-/m0/s1.
What are the key properties of 6-methoxy-N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]-4-oxo-1H-quinoline-3-carboxamide?
6-methoxy-N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 95207704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).