5,6-dimethyl-3-[4-[(4-oxo-3,5-dihydro-2H-furo[3,2-c]quinolin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide

C24H27N5O3 — CID 170304885

IUPAC5,6-dimethyl-3-[4-[(4-oxo-3,5-dihydro-2H-furo[3,2-c]quinolin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
SMILESCc1cc(N2CCN(Cc3ccc4c5c(c(=O)[nH]c4c3)CCO5)CC2)c(C(N)=O)nc1C
InChIInChI=1S/C24H27N5O3/c1-14-11-20(21(23(25)30)26-15(14)2)29-8-6-28(7-9-29)13-16-3-4-17-19(12-16)27-24(31)18-5-10-32-22(17)18/h3-4,11-12H,5-10,13H2,1-2H3,(H2,25,30)(H,27,31)
InChIKeyARQWSAFVYGSUJQ-UHFFFAOYSA-N
MW433.51 g/mol
LogP1.90
Rot. Bonds4

About 5,6-dimethyl-3-[4-[(4-oxo-3,5-dihydro-2H-furo[3,2-c]quinolin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide

5,6-dimethyl-3-[4-[(4-oxo-3,5-dihydro-2H-furo[3,2-c]quinolin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide (PubChem CID 170304885) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is 5,6-dimethyl-3-[4-[(4-oxo-3,5-dihydro-2H-furo[3,2-c]quinolin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5,6-dimethyl-3-[4-[(4-oxo-3,5-dihydro-2H-furo[3,2-c]quinolin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
PubChem CID170304885
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC Name5,6-dimethyl-3-[4-[(4-oxo-3,5-dihydro-2H-furo[3,2-c]quinolin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
SMILESCc1cc(N2CCN(Cc3ccc4c5c(c(=O)[nH]c4c3)CCO5)CC2)c(C(N)=O)nc1C
InChIInChI=1S/C24H27N5O3/c1-14-11-20(21(23(25)30)26-15(14)2)29-8-6-28(7-9-29)13-16-3-4-17-19(12-16)27-24(31)18-5-10-32-22(17)18/h3-4,11-12H,5-10,13H2,1-2H3,(H2,25,30)(H,27,31)
InChIKeyARQWSAFVYGSUJQ-UHFFFAOYSA-N
XLogP1.90
TPSA104.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5,6-dimethyl-3-[4-[(4-oxo-3,5-dihydro-2H-furo[3,2-c]quinolin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide with MolForge

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Related Compounds

N,6-dimethyl-5-[4-[(2-methyl-4-oxo-3,5-dihydro-1H-pyrrolo[3,4-c]quinolin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 172560176
N,2-dimethyl-3-[4-[(4-oxo-5H-thieno[3,4-c]quinolin-7-yl)methyl]piperazin-1-yl]quinoline-6-carboxamide
CID 171572780
N,6-dimethyl-5-[4-[(4-oxo-5H-[1,2]thiazolo[5,4-c]quinolin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 172560181
8-[[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
CID 134595879
6-fluoro-N-methyl-5-[4-[(4-oxo-5H-[1,2]oxazolo[3,4-c]quinolin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 172560054
N,6-dimethyl-5-[4-[(6-oxo-7,9-dihydro-5H-furo[3,4-c][1,5]naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 171572872
N,6-dimethyl-5-[4-[(6-oxo-5,7,8,9-tetrahydrocyclopenta[c][1,6]naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 168957372
8-[[4-[(1E,3Z)-1,4-diaminopenta-1,3-dienyl]piperazin-1-yl]methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
CID 145204373
6-fluoro-5-[4-[(9-fluoro-4-oxo-1,2,3,5-tetrahydrocyclopenta[c]quinolin-7-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 168982808
5-[4-[(3-ethyl-2,4-dioxo-1H-quinazolin-7-yl)methyl]piperazin-1-yl]-N,6-bis(trideuteriomethyl)pyridine-2-carboxamide
CID 168957380
8-[[4-[(1E,3E)-1,4-diamino-4-chlorobuta-1,3-dienyl]piperazin-1-yl]methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
CID 145204402
N,6-dimethyl-5-[4-[(3-methyl-2-oxo-1H-thieno[2,3-b]pyrazin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 171484069

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-[4-[(4-oxo-3,5-dihydro-2H-furo[3,2-c]quinolin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide?
The IUPAC name of 5,6-dimethyl-3-[4-[(4-oxo-3,5-dihydro-2H-furo[3,2-c]quinolin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide (CID 170304885) is 5,6-dimethyl-3-[4-[(4-oxo-3,5-dihydro-2H-furo[3,2-c]quinolin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for 5,6-dimethyl-3-[4-[(4-oxo-3,5-dihydro-2H-furo[3,2-c]quinolin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide?
The canonical SMILES for 5,6-dimethyl-3-[4-[(4-oxo-3,5-dihydro-2H-furo[3,2-c]quinolin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide is Cc1cc(N2CCN(Cc3ccc4c5c(c(=O)[nH]c4c3)CCO5)CC2)c(C(N)=O)nc1C.
What is the InChIKey of 5,6-dimethyl-3-[4-[(4-oxo-3,5-dihydro-2H-furo[3,2-c]quinolin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide?
The InChIKey is ARQWSAFVYGSUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3/c1-14-11-20(21(23(25)30)26-15(14)2)29-8-6-28(7-9-29)13-16-3-4-17-19(12-16)27-24(31)18-5-10-32-22(17)18/h3-4,11-12H,5-10,13H2,1-2H3,(H2,25,30)(H,27,31).
What are the key properties of 5,6-dimethyl-3-[4-[(4-oxo-3,5-dihydro-2H-furo[3,2-c]quinolin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide?
5,6-dimethyl-3-[4-[(4-oxo-3,5-dihydro-2H-furo[3,2-c]quinolin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide has a molecular weight of 433.51 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-[4-[(4-oxo-3,5-dihydro-2H-furo[3,2-c]quinolin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 170304885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).