formic acid;3-[[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]methyl]-6,8-dimethyl-1H-quinolin-2-one

C21H28N2O6 — CID 154920378

IUPACformic acid;3-[[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]methyl]-6,8-dimethyl-1H-quinolin-2-one
SMILESCc1cc(C)c2[nH]c(=O)c(CN3CCCC3C3(O)CC3)cc2c1.O=CO.O=CO
InChIInChI=1S/C19H24N2O2.2CH2O2/c1-12-8-13(2)17-14(9-12)10-15(18(22)20-17)11-21-7-3-4-16(21)19(23)5-6-19;2*2-1-3/h8-10,16,23H,3-7,11H2,1-2H3,(H,20,22);2*1H,(H,2,3)
InChIKeyAIZUEEUYNKCEIJ-UHFFFAOYSA-N
MW404.46 g/mol
LogP2.04
Rot. Bonds3

About formic acid;3-[[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]methyl]-6,8-dimethyl-1H-quinolin-2-one

formic acid;3-[[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]methyl]-6,8-dimethyl-1H-quinolin-2-one (PubChem CID 154920378) has the molecular formula C21H28N2O6 and a molecular weight of 404.46 g/mol. Its IUPAC name is formic acid;3-[[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]methyl]-6,8-dimethyl-1H-quinolin-2-one.

Molecular Properties

Compound Nameformic acid;3-[[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]methyl]-6,8-dimethyl-1H-quinolin-2-one
PubChem CID154920378
Molecular FormulaC21H28N2O6
Molecular Weight404.46 g/mol
Exact Mass404.19
IUPAC Nameformic acid;3-[[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]methyl]-6,8-dimethyl-1H-quinolin-2-one
SMILESCc1cc(C)c2[nH]c(=O)c(CN3CCCC3C3(O)CC3)cc2c1.O=CO.O=CO
InChIInChI=1S/C19H24N2O2.2CH2O2/c1-12-8-13(2)17-14(9-12)10-15(18(22)20-17)11-21-7-3-4-16(21)19(23)5-6-19;2*2-1-3/h8-10,16,23H,3-7,11H2,1-2H3,(H,20,22);2*1H,(H,2,3)
InChIKeyAIZUEEUYNKCEIJ-UHFFFAOYSA-N
XLogP2.04
TPSA130.93 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.46
LogP ≤ 52.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze formic acid;3-[[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]methyl]-6,8-dimethyl-1H-quinolin-2-one with MolForge

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Related Compounds

3-[[(3S,8aS)-3-methyl-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl]methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 137336127
3-[[(4S)-4-(dimethylamino)azepan-1-yl]methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 95711780
3-[[(4aR,7aS)-1-methyl-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 70766146
6,8-dimethyl-3-[[(3S)-3-(methylsulfonylmethyl)piperidin-1-yl]methyl]-1H-quinolin-2-one
CID 99931813
N-cyclopentyl-N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 856997
6,8-dimethyl-3-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]-1H-quinolin-2-one
CID 110331580
3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 56717632
(5R)-9-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95880781
3-(aminomethyl)-6,8-dimethyl-1H-quinolin-2-one
CID 6487599
N-cyclopentyl-3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331527
4-[3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carbaldehyde
CID 110331540
1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[(1-ethylpyrrolidin-2-yl)methyl]-3-(2-methoxyphenyl)urea
CID 652717

Frequently Asked Questions

What is the IUPAC name of formic acid;3-[[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]methyl]-6,8-dimethyl-1H-quinolin-2-one?
The IUPAC name of formic acid;3-[[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]methyl]-6,8-dimethyl-1H-quinolin-2-one (CID 154920378) is formic acid;3-[[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]methyl]-6,8-dimethyl-1H-quinolin-2-one.
What is the SMILES notation for formic acid;3-[[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]methyl]-6,8-dimethyl-1H-quinolin-2-one?
The canonical SMILES for formic acid;3-[[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]methyl]-6,8-dimethyl-1H-quinolin-2-one is Cc1cc(C)c2[nH]c(=O)c(CN3CCCC3C3(O)CC3)cc2c1.O=CO.O=CO.
What is the InChIKey of formic acid;3-[[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]methyl]-6,8-dimethyl-1H-quinolin-2-one?
The InChIKey is AIZUEEUYNKCEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2.2CH2O2/c1-12-8-13(2)17-14(9-12)10-15(18(22)20-17)11-21-7-3-4-16(21)19(23)5-6-19;2*2-1-3/h8-10,16,23H,3-7,11H2,1-2H3,(H,20,22);2*1H,(H,2,3).
What are the key properties of formic acid;3-[[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]methyl]-6,8-dimethyl-1H-quinolin-2-one?
formic acid;3-[[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]methyl]-6,8-dimethyl-1H-quinolin-2-one has a molecular weight of 404.46 g/mol, XLogP of 2.04, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;3-[[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]methyl]-6,8-dimethyl-1H-quinolin-2-one is sourced from PubChem (CID 154920378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).