7-methoxy-N-methyl-1-[2-[4-[methyl(quinolin-2-yl)amino]piperidin-1-yl]ethyl]-2-oxoquinoline-4-carboxamide

C29H33N5O3 — CID 67539164

IUPAC7-methoxy-N-methyl-1-[2-[4-[methyl(quinolin-2-yl)amino]piperidin-1-yl]ethyl]-2-oxoquinoline-4-carboxamide
SMILESCNC(=O)c1cc(=O)n(CCN2CCC(N(C)c3ccc4ccccc4n3)CC2)c2cc(OC)ccc12
InChIInChI=1S/C29H33N5O3/c1-30-29(36)24-19-28(35)34(26-18-22(37-3)9-10-23(24)26)17-16-33-14-12-21(13-15-33)32(2)27-11-8-20-6-4-5-7-25(20)31-27/h4-11,18-19,21H,12-17H2,1-3H3,(H,30,36)
InChIKeyYITLTBUJCQLHSU-UHFFFAOYSA-N
MW499.62 g/mol
LogP3.52
Rot. Bonds7

About 7-methoxy-N-methyl-1-[2-[4-[methyl(quinolin-2-yl)amino]piperidin-1-yl]ethyl]-2-oxoquinoline-4-carboxamide

7-methoxy-N-methyl-1-[2-[4-[methyl(quinolin-2-yl)amino]piperidin-1-yl]ethyl]-2-oxoquinoline-4-carboxamide (PubChem CID 67539164) has the molecular formula C29H33N5O3 and a molecular weight of 499.62 g/mol. Its IUPAC name is 7-methoxy-N-methyl-1-[2-[4-[methyl(quinolin-2-yl)amino]piperidin-1-yl]ethyl]-2-oxoquinoline-4-carboxamide.

Molecular Properties

Compound Name7-methoxy-N-methyl-1-[2-[4-[methyl(quinolin-2-yl)amino]piperidin-1-yl]ethyl]-2-oxoquinoline-4-carboxamide
PubChem CID67539164
Molecular FormulaC29H33N5O3
Molecular Weight499.62 g/mol
Exact Mass499.26
IUPAC Name7-methoxy-N-methyl-1-[2-[4-[methyl(quinolin-2-yl)amino]piperidin-1-yl]ethyl]-2-oxoquinoline-4-carboxamide
SMILESCNC(=O)c1cc(=O)n(CCN2CCC(N(C)c3ccc4ccccc4n3)CC2)c2cc(OC)ccc12
InChIInChI=1S/C29H33N5O3/c1-30-29(36)24-19-28(35)34(26-18-22(37-3)9-10-23(24)26)17-16-33-14-12-21(13-15-33)32(2)27-11-8-20-6-4-5-7-25(20)31-27/h4-11,18-19,21H,12-17H2,1-3H3,(H,30,36)
InChIKeyYITLTBUJCQLHSU-UHFFFAOYSA-N
XLogP3.52
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.62
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

7-methoxy-N-methyl-1-[2-[4-[methyl-(5-thiophen-2-yl-1,2-oxazol-3-yl)amino]piperidin-1-yl]ethyl]-2-oxoquinoline-4-carboxamide;hydrochloride
CID 67538825
1-[2-[4-[(4-ethylphenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-N-methyl-2-oxoquinoline-4-carboxamide;hydrochloride
CID 67537611
1-[2-[4-[(4-tert-butylphenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-N-methyl-2-oxoquinoline-4-carboxamide
CID 59397946
7-methoxy-N-methyl-2-oxo-1-[2-[4-[(4-pyrrolidin-1-ylphenyl)methylamino]piperidin-1-yl]ethyl]quinoline-4-carboxamide
CID 67537347
1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-7-methoxy-N-methyl-2-oxoquinoline-5-carboxamide;hydrochloride
CID 67539031
tert-butyl-[1-[2-(7-methoxy-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]carbamic acid
CID 66774842
1-[2-(4-aminopiperidin-1-yl)ethyl]-7-methoxyquinolin-2-one
CID 59398289
2-[4-[(6-methoxy-1-methylindol-3-yl)methyl]morpholin-2-yl]-N-methylquinoline-4-carboxamide
CID 110251829
1-[2-[4-[(3-fluoro-4-methylphenyl)methylamino]piperidin-1-yl]ethyl]-N-methyl-2-oxoquinoline-4-carboxamide
CID 59398436
N-methyl-2-oxo-1-[2-[4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylamino]piperidin-1-yl]ethyl]quinoline-4-carboxamide;hydrochloride
CID 67539033
7-fluoro-N-[1-[2-(7-methoxy-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]-N-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-6-carboxamide
CID 25160349
tert-butyl N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[1-[2-[4-(2-hydroxyethylcarbamoyl)-7-methoxy-2-oxoquinolin-1-yl]ethyl]piperidin-4-yl]carbamate;1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-N-(2-hydroxyethyl)-7-methoxy-2-oxoquinoline-4-carboxamide
CID 158569939

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-methyl-1-[2-[4-[methyl(quinolin-2-yl)amino]piperidin-1-yl]ethyl]-2-oxoquinoline-4-carboxamide?
The IUPAC name of 7-methoxy-N-methyl-1-[2-[4-[methyl(quinolin-2-yl)amino]piperidin-1-yl]ethyl]-2-oxoquinoline-4-carboxamide (CID 67539164) is 7-methoxy-N-methyl-1-[2-[4-[methyl(quinolin-2-yl)amino]piperidin-1-yl]ethyl]-2-oxoquinoline-4-carboxamide.
What is the SMILES notation for 7-methoxy-N-methyl-1-[2-[4-[methyl(quinolin-2-yl)amino]piperidin-1-yl]ethyl]-2-oxoquinoline-4-carboxamide?
The canonical SMILES for 7-methoxy-N-methyl-1-[2-[4-[methyl(quinolin-2-yl)amino]piperidin-1-yl]ethyl]-2-oxoquinoline-4-carboxamide is CNC(=O)c1cc(=O)n(CCN2CCC(N(C)c3ccc4ccccc4n3)CC2)c2cc(OC)ccc12.
What is the InChIKey of 7-methoxy-N-methyl-1-[2-[4-[methyl(quinolin-2-yl)amino]piperidin-1-yl]ethyl]-2-oxoquinoline-4-carboxamide?
The InChIKey is YITLTBUJCQLHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N5O3/c1-30-29(36)24-19-28(35)34(26-18-22(37-3)9-10-23(24)26)17-16-33-14-12-21(13-15-33)32(2)27-11-8-20-6-4-5-7-25(20)31-27/h4-11,18-19,21H,12-17H2,1-3H3,(H,30,36).
What are the key properties of 7-methoxy-N-methyl-1-[2-[4-[methyl(quinolin-2-yl)amino]piperidin-1-yl]ethyl]-2-oxoquinoline-4-carboxamide?
7-methoxy-N-methyl-1-[2-[4-[methyl(quinolin-2-yl)amino]piperidin-1-yl]ethyl]-2-oxoquinoline-4-carboxamide has a molecular weight of 499.62 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-methyl-1-[2-[4-[methyl(quinolin-2-yl)amino]piperidin-1-yl]ethyl]-2-oxoquinoline-4-carboxamide is sourced from PubChem (CID 67539164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).