1-methyl-N-[[1-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]piperidin-4-yl]methyl]cyclopropane-1-carboxamide

C22H27N3O4 — CID 131919858

IUPAC1-methyl-N-[[1-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]piperidin-4-yl]methyl]cyclopropane-1-carboxamide
SMILESCC1(C(=O)NCC2CCN(Cc3cc4cc5c(cc4[nH]c3=O)OCO5)CC2)CC1
InChIInChI=1S/C22H27N3O4/c1-22(4-5-22)21(27)23-11-14-2-6-25(7-3-14)12-16-8-15-9-18-19(29-13-28-18)10-17(15)24-20(16)26/h8-10,14H,2-7,11-13H2,1H3,(H,23,27)(H,24,26)
InChIKeyOFMCRKBJUPLDOO-UHFFFAOYSA-N
MW397.48 g/mol
LogP2.39
Rot. Bonds5

About 1-methyl-N-[[1-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]piperidin-4-yl]methyl]cyclopropane-1-carboxamide

1-methyl-N-[[1-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]piperidin-4-yl]methyl]cyclopropane-1-carboxamide (PubChem CID 131919858) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is 1-methyl-N-[[1-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]piperidin-4-yl]methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[[1-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]piperidin-4-yl]methyl]cyclopropane-1-carboxamide
PubChem CID131919858
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC Name1-methyl-N-[[1-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]piperidin-4-yl]methyl]cyclopropane-1-carboxamide
SMILESCC1(C(=O)NCC2CCN(Cc3cc4cc5c(cc4[nH]c3=O)OCO5)CC2)CC1
InChIInChI=1S/C22H27N3O4/c1-22(4-5-22)21(27)23-11-14-2-6-25(7-3-14)12-16-8-15-9-18-19(29-13-28-18)10-17(15)24-20(16)26/h8-10,14H,2-7,11-13H2,1H3,(H,23,27)(H,24,26)
InChIKeyOFMCRKBJUPLDOO-UHFFFAOYSA-N
XLogP2.39
TPSA83.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-methyl-N-[[1-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]piperidin-4-yl]methyl]cyclopropane-1-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

methyl (2S)-1-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]piperidine-2-carboxylate
CID 95221558
N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-1-methylcyclopropane-1-carboxamide
CID 143736405
2-(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)acetic acid
CID 82048474
(3S)-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-ethylpyrrolidine-3-carboxamide
CID 95212553
N-[[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]methyl]ethanamine
CID 80550714
N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-3-methyloxolane-3-carboxamide
CID 154738097
N-[[1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]methyl]acetamide
CID 56709700
7-[[2-hydroxyethyl(methyl)amino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 91823152
methyl 1-[(7-methylsulfanyl-2-oxo-1H-quinolin-3-yl)methyl]piperidine-4-carboxylate
CID 56719378
2-methyl-N-[2-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)ethyl]propanamide
CID 110326153
N-[(4-methylphenyl)methyl]-N-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]acetamide
CID 3194281
3-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]-7-methyl-1H-quinolin-2-one
CID 56747678

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[1-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]piperidin-4-yl]methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-methyl-N-[[1-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]piperidin-4-yl]methyl]cyclopropane-1-carboxamide (CID 131919858) is 1-methyl-N-[[1-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]piperidin-4-yl]methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-methyl-N-[[1-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]piperidin-4-yl]methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-methyl-N-[[1-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]piperidin-4-yl]methyl]cyclopropane-1-carboxamide is CC1(C(=O)NCC2CCN(Cc3cc4cc5c(cc4[nH]c3=O)OCO5)CC2)CC1.
What is the InChIKey of 1-methyl-N-[[1-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]piperidin-4-yl]methyl]cyclopropane-1-carboxamide?
The InChIKey is OFMCRKBJUPLDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-22(4-5-22)21(27)23-11-14-2-6-25(7-3-14)12-16-8-15-9-18-19(29-13-28-18)10-17(15)24-20(16)26/h8-10,14H,2-7,11-13H2,1H3,(H,23,27)(H,24,26).
What are the key properties of 1-methyl-N-[[1-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]piperidin-4-yl]methyl]cyclopropane-1-carboxamide?
1-methyl-N-[[1-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]piperidin-4-yl]methyl]cyclopropane-1-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[1-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]piperidin-4-yl]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 131919858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).