N-[2-[1-[2-(4-methyl-2-oxo-1H-quinolin-6-yl)acetyl]piperidin-4-yl]ethyl]quinoline-2-carboxamide

C29H30N4O3 — CID 169234313

IUPACN-[2-[1-[2-(4-methyl-2-oxo-1H-quinolin-6-yl)acetyl]piperidin-4-yl]ethyl]quinoline-2-carboxamide
SMILESCc1cc(=O)[nH]c2ccc(CC(=O)N3CCC(CCNC(=O)c4ccc5ccccc5n4)CC3)cc12
InChIInChI=1S/C29H30N4O3/c1-19-16-27(34)32-25-8-6-21(17-23(19)25)18-28(35)33-14-11-20(12-15-33)10-13-30-29(36)26-9-7-22-4-2-3-5-24(22)31-26/h2-9,16-17,20H,10-15,18H2,1H3,(H,30,36)(H,32,34)
InChIKeyXXZLLCKEAYMUHY-UHFFFAOYSA-N
MW482.58 g/mol
LogP3.99
Rot. Bonds6

About N-[2-[1-[2-(4-methyl-2-oxo-1H-quinolin-6-yl)acetyl]piperidin-4-yl]ethyl]quinoline-2-carboxamide

N-[2-[1-[2-(4-methyl-2-oxo-1H-quinolin-6-yl)acetyl]piperidin-4-yl]ethyl]quinoline-2-carboxamide (PubChem CID 169234313) has the molecular formula C29H30N4O3 and a molecular weight of 482.58 g/mol. Its IUPAC name is N-[2-[1-[2-(4-methyl-2-oxo-1H-quinolin-6-yl)acetyl]piperidin-4-yl]ethyl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[2-[1-[2-(4-methyl-2-oxo-1H-quinolin-6-yl)acetyl]piperidin-4-yl]ethyl]quinoline-2-carboxamide
PubChem CID169234313
Molecular FormulaC29H30N4O3
Molecular Weight482.58 g/mol
Exact Mass482.23
IUPAC NameN-[2-[1-[2-(4-methyl-2-oxo-1H-quinolin-6-yl)acetyl]piperidin-4-yl]ethyl]quinoline-2-carboxamide
SMILESCc1cc(=O)[nH]c2ccc(CC(=O)N3CCC(CCNC(=O)c4ccc5ccccc5n4)CC3)cc12
InChIInChI=1S/C29H30N4O3/c1-19-16-27(34)32-25-8-6-21(17-23(19)25)18-28(35)33-14-11-20(12-15-33)10-13-30-29(36)26-9-7-22-4-2-3-5-24(22)31-26/h2-9,16-17,20H,10-15,18H2,1H3,(H,30,36)(H,32,34)
InChIKeyXXZLLCKEAYMUHY-UHFFFAOYSA-N
XLogP3.99
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.58
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-[1-[2-(4-methyl-2-oxo-1H-quinolin-6-yl)acetyl]piperidin-4-yl]ethyl]quinoline-2-carboxamide with MolForge

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Related Compounds

N-(3-morpholin-4-yl-3-oxopropyl)quinoline-2-carboxamide
CID 46598471
N-[6-(quinoline-2-carbonylamino)hexyl]quinoline-2-carboxamide
CID 139197064
N-[[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]methyl]quinoline-2-carboxamide
CID 131945303
1-[4-(methylaminomethyl)piperidin-1-yl]-2-naphthalen-2-ylethanone;hydrochloride
CID 119542656
N-[3-(quinoline-2-carbonylamino)propyl]quinoline-2-carboxamide
CID 11603405
[1-(methylamino)-1-oxo-3-[1-[2-(2-oxo-1H-quinolin-6-yl)acetyl]piperidin-4-yl]propan-2-yl]carbamic acid
CID 170161914
N-[2-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 72877016
N-[3-(4-methylpiperazin-1-yl)propyl]quinoline-2-carboxamide
CID 51073449
1-[4-(aminomethyl)piperidin-1-yl]-2-(3,4-dimethylphenyl)ethanone
CID 62538155
N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]quinoline-2-carboxamide
CID 9472411
N-(3-pyrrolidin-1-ylpropyl)quinoline-2-carboxamide
CID 51110395
N-[2-(4-methoxyphenyl)ethyl]quinoline-2-carboxamide
CID 2093012

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[2-(4-methyl-2-oxo-1H-quinolin-6-yl)acetyl]piperidin-4-yl]ethyl]quinoline-2-carboxamide?
The IUPAC name of N-[2-[1-[2-(4-methyl-2-oxo-1H-quinolin-6-yl)acetyl]piperidin-4-yl]ethyl]quinoline-2-carboxamide (CID 169234313) is N-[2-[1-[2-(4-methyl-2-oxo-1H-quinolin-6-yl)acetyl]piperidin-4-yl]ethyl]quinoline-2-carboxamide.
What is the SMILES notation for N-[2-[1-[2-(4-methyl-2-oxo-1H-quinolin-6-yl)acetyl]piperidin-4-yl]ethyl]quinoline-2-carboxamide?
The canonical SMILES for N-[2-[1-[2-(4-methyl-2-oxo-1H-quinolin-6-yl)acetyl]piperidin-4-yl]ethyl]quinoline-2-carboxamide is Cc1cc(=O)[nH]c2ccc(CC(=O)N3CCC(CCNC(=O)c4ccc5ccccc5n4)CC3)cc12.
What is the InChIKey of N-[2-[1-[2-(4-methyl-2-oxo-1H-quinolin-6-yl)acetyl]piperidin-4-yl]ethyl]quinoline-2-carboxamide?
The InChIKey is XXZLLCKEAYMUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O3/c1-19-16-27(34)32-25-8-6-21(17-23(19)25)18-28(35)33-14-11-20(12-15-33)10-13-30-29(36)26-9-7-22-4-2-3-5-24(22)31-26/h2-9,16-17,20H,10-15,18H2,1H3,(H,30,36)(H,32,34).
What are the key properties of N-[2-[1-[2-(4-methyl-2-oxo-1H-quinolin-6-yl)acetyl]piperidin-4-yl]ethyl]quinoline-2-carboxamide?
N-[2-[1-[2-(4-methyl-2-oxo-1H-quinolin-6-yl)acetyl]piperidin-4-yl]ethyl]quinoline-2-carboxamide has a molecular weight of 482.58 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[2-(4-methyl-2-oxo-1H-quinolin-6-yl)acetyl]piperidin-4-yl]ethyl]quinoline-2-carboxamide is sourced from PubChem (CID 169234313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).