N-(2,6-dioxopiperidin-3-yl)-N-[[2-methyl-5-[(3S)-1-(quinolin-6-ylmethyl)pyrrolidin-3-yl]oxyphenyl]methyl]formamide

C28H30N4O4 — CID 174283747

IUPACN-(2,6-dioxopiperidin-3-yl)-N-[[2-methyl-5-[(3S)-1-(quinolin-6-ylmethyl)pyrrolidin-3-yl]oxyphenyl]methyl]formamide
SMILESCc1ccc(O[C@H]2CCN(Cc3ccc4ncccc4c3)C2)cc1CN(C=O)C1CCC(=O)NC1=O
InChIInChI=1S/C28H30N4O4/c1-19-4-6-23(14-22(19)16-32(18-33)26-8-9-27(34)30-28(26)35)36-24-10-12-31(17-24)15-20-5-7-25-21(13-20)3-2-11-29-25/h2-7,11,13-14,18,24,26H,8-10,12,15-17H2,1H3,(H,30,34,35)/t24-,26?/m0/s1
InChIKeySNRXOHRDDQFNNR-QSAPEBAKSA-N
MW486.57 g/mol
LogP2.96
Rot. Bonds8

About N-(2,6-dioxopiperidin-3-yl)-N-[[2-methyl-5-[(3S)-1-(quinolin-6-ylmethyl)pyrrolidin-3-yl]oxyphenyl]methyl]formamide

N-(2,6-dioxopiperidin-3-yl)-N-[[2-methyl-5-[(3S)-1-(quinolin-6-ylmethyl)pyrrolidin-3-yl]oxyphenyl]methyl]formamide (PubChem CID 174283747) has the molecular formula C28H30N4O4 and a molecular weight of 486.57 g/mol. Its IUPAC name is N-(2,6-dioxopiperidin-3-yl)-N-[[2-methyl-5-[(3S)-1-(quinolin-6-ylmethyl)pyrrolidin-3-yl]oxyphenyl]methyl]formamide.

Molecular Properties

Compound NameN-(2,6-dioxopiperidin-3-yl)-N-[[2-methyl-5-[(3S)-1-(quinolin-6-ylmethyl)pyrrolidin-3-yl]oxyphenyl]methyl]formamide
PubChem CID174283747
Molecular FormulaC28H30N4O4
Molecular Weight486.57 g/mol
Exact Mass486.23
IUPAC NameN-(2,6-dioxopiperidin-3-yl)-N-[[2-methyl-5-[(3S)-1-(quinolin-6-ylmethyl)pyrrolidin-3-yl]oxyphenyl]methyl]formamide
SMILESCc1ccc(O[C@H]2CCN(Cc3ccc4ncccc4c3)C2)cc1CN(C=O)C1CCC(=O)NC1=O
InChIInChI=1S/C28H30N4O4/c1-19-4-6-23(14-22(19)16-32(18-33)26-8-9-27(34)30-28(26)35)36-24-10-12-31(17-24)15-20-5-7-25-21(13-20)3-2-11-29-25/h2-7,11,13-14,18,24,26H,8-10,12,15-17H2,1H3,(H,30,34,35)/t24-,26?/m0/s1
InChIKeySNRXOHRDDQFNNR-QSAPEBAKSA-N
XLogP2.96
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.57
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[3-oxo-6-[(3S)-1-(quinolin-7-ylmethyl)pyrrolidin-3-yl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione
CID 174196984
3-[3-oxo-6-[(3R)-1-(quinolin-3-ylmethyl)pyrrolidin-3-yl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione
CID 170708311
N-(2,6-dioxopiperidin-3-yl)-N-[(2-methylphenyl)methyl]formamide;ethane
CID 154670610
(3S)-1-(quinolin-6-ylmethyl)pyrrolidin-3-ol
CID 79031483
6-[[(3S)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]quinoline
CID 95829818
5-chloropyrimidin-2-amine;N-(2,6-dioxopiperidin-3-yl)-N-[[2-methyl-5-[1-[(4-piperidin-1-ylphenyl)methyl]piperidin-4-yl]phenyl]methyl]formamide
CID 178026193
3-[6-[(3S)-1-(naphthalen-2-ylmethyl)pyrrolidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 170940573
3-[6-[(3S)-1-[[2-(methylamino)quinolin-6-yl]methyl]pyrrolidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 170708071
5-cyclobutyloxy-2-methylbenzaldehyde;N-(2,6-dioxopiperidin-3-yl)-N-methylformamide;methanamine
CID 156711586
3-[5-[(3S)-1-[(2-methylquinolin-3-yl)methyl]pyrrolidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 170708208
N-[[5-[1-[[3-[6-[4-(6-amino-3-pyridinyl)piperazin-1-yl]hexoxy]phenyl]methyl]piperidin-4-yl]-2-methylphenyl]methyl]-N-(2,6-dioxopiperidin-3-yl)formamide;ethane
CID 166484398
3-[6-[(3S)-1-[(2-cyclohexylquinolin-6-yl)methyl]pyrrolidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 174288854

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dioxopiperidin-3-yl)-N-[[2-methyl-5-[(3S)-1-(quinolin-6-ylmethyl)pyrrolidin-3-yl]oxyphenyl]methyl]formamide?
The IUPAC name of N-(2,6-dioxopiperidin-3-yl)-N-[[2-methyl-5-[(3S)-1-(quinolin-6-ylmethyl)pyrrolidin-3-yl]oxyphenyl]methyl]formamide (CID 174283747) is N-(2,6-dioxopiperidin-3-yl)-N-[[2-methyl-5-[(3S)-1-(quinolin-6-ylmethyl)pyrrolidin-3-yl]oxyphenyl]methyl]formamide.
What is the SMILES notation for N-(2,6-dioxopiperidin-3-yl)-N-[[2-methyl-5-[(3S)-1-(quinolin-6-ylmethyl)pyrrolidin-3-yl]oxyphenyl]methyl]formamide?
The canonical SMILES for N-(2,6-dioxopiperidin-3-yl)-N-[[2-methyl-5-[(3S)-1-(quinolin-6-ylmethyl)pyrrolidin-3-yl]oxyphenyl]methyl]formamide is Cc1ccc(O[C@H]2CCN(Cc3ccc4ncccc4c3)C2)cc1CN(C=O)C1CCC(=O)NC1=O.
What is the InChIKey of N-(2,6-dioxopiperidin-3-yl)-N-[[2-methyl-5-[(3S)-1-(quinolin-6-ylmethyl)pyrrolidin-3-yl]oxyphenyl]methyl]formamide?
The InChIKey is SNRXOHRDDQFNNR-QSAPEBAKSA-N. The full InChI is InChI=1S/C28H30N4O4/c1-19-4-6-23(14-22(19)16-32(18-33)26-8-9-27(34)30-28(26)35)36-24-10-12-31(17-24)15-20-5-7-25-21(13-20)3-2-11-29-25/h2-7,11,13-14,18,24,26H,8-10,12,15-17H2,1H3,(H,30,34,35)/t24-,26?/m0/s1.
What are the key properties of N-(2,6-dioxopiperidin-3-yl)-N-[[2-methyl-5-[(3S)-1-(quinolin-6-ylmethyl)pyrrolidin-3-yl]oxyphenyl]methyl]formamide?
N-(2,6-dioxopiperidin-3-yl)-N-[[2-methyl-5-[(3S)-1-(quinolin-6-ylmethyl)pyrrolidin-3-yl]oxyphenyl]methyl]formamide has a molecular weight of 486.57 g/mol, XLogP of 2.96, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dioxopiperidin-3-yl)-N-[[2-methyl-5-[(3S)-1-(quinolin-6-ylmethyl)pyrrolidin-3-yl]oxyphenyl]methyl]formamide is sourced from PubChem (CID 174283747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).