6-ethyl-3-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-(3-hydroxypropyl)amino]methyl]-1H-quinolin-2-one

C22H26N6O3 — CID 3199053

IUPAC6-ethyl-3-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-(3-hydroxypropyl)amino]methyl]-1H-quinolin-2-one
SMILESCCc1ccc2[nH]c(=O)c(CN(CCCO)Cc3nnnn3Cc3ccco3)cc2c1
InChIInChI=1S/C22H26N6O3/c1-2-16-6-7-20-17(11-16)12-18(22(30)23-20)13-27(8-4-9-29)15-21-24-25-26-28(21)14-19-5-3-10-31-19/h3,5-7,10-12,29H,2,4,8-9,13-15H2,1H3,(H,23,30)
InChIKeyQEUFPCHFMSCCOQ-UHFFFAOYSA-N
MW422.49 g/mol
LogP2.10
Rot. Bonds10

About 6-ethyl-3-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-(3-hydroxypropyl)amino]methyl]-1H-quinolin-2-one

6-ethyl-3-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-(3-hydroxypropyl)amino]methyl]-1H-quinolin-2-one (PubChem CID 3199053) has the molecular formula C22H26N6O3 and a molecular weight of 422.49 g/mol. Its IUPAC name is 6-ethyl-3-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-(3-hydroxypropyl)amino]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-ethyl-3-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-(3-hydroxypropyl)amino]methyl]-1H-quinolin-2-one
PubChem CID3199053
Molecular FormulaC22H26N6O3
Molecular Weight422.49 g/mol
Exact Mass422.21
IUPAC Name6-ethyl-3-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-(3-hydroxypropyl)amino]methyl]-1H-quinolin-2-one
SMILESCCc1ccc2[nH]c(=O)c(CN(CCCO)Cc3nnnn3Cc3ccco3)cc2c1
InChIInChI=1S/C22H26N6O3/c1-2-16-6-7-20-17(11-16)12-18(22(30)23-20)13-27(8-4-9-29)15-21-24-25-26-28(21)14-19-5-3-10-31-19/h3,5-7,10-12,29H,2,4,8-9,13-15H2,1H3,(H,23,30)
InChIKeyQEUFPCHFMSCCOQ-UHFFFAOYSA-N
XLogP2.10
TPSA113.07 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-ethyl-3-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-(3-hydroxypropyl)amino]methyl]-1H-quinolin-2-one with MolForge

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Related Compounds

3-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-(3-hydroxypropyl)amino]methyl]-6-methyl-1H-quinolin-2-one
CID 3200463
6-ethyl-3-[[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl-(3-hydroxypropyl)amino]methyl]-1H-quinolin-2-one
CID 3199054
8-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-[(4-methylphenyl)methyl]amino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 1464396
7-[[2-(3,4-dimethoxyphenyl)ethyl-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 3200553
6-ethyl-3-[[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl-(2-phenylethyl)amino]methyl]-1H-quinolin-2-one
CID 1170760
8-[[furan-2-ylmethyl-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 1464430
6-ethyl-3-[[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]propyl-[(4-methylphenyl)methyl]amino]methyl]-1H-quinolin-2-one
CID 3199214
3-[[(1-benzyltetrazol-5-yl)methyl-(furan-2-ylmethyl)amino]methyl]-6,7-dimethyl-1H-quinolin-2-one
CID 1171336
3-[[1,3-benzodioxol-5-ylmethyl-[(1-benzyltetrazol-5-yl)methyl]amino]methyl]-6-ethyl-1H-quinolin-2-one
CID 1170742
3-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]-6-methoxy-1H-quinolin-2-one
CID 1463977
3-[[furan-2-ylmethyl-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-7,8-dimethyl-1H-quinolin-2-one
CID 1463983
3-[[benzyl-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 3200597

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-(3-hydroxypropyl)amino]methyl]-1H-quinolin-2-one?
The IUPAC name of 6-ethyl-3-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-(3-hydroxypropyl)amino]methyl]-1H-quinolin-2-one (CID 3199053) is 6-ethyl-3-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-(3-hydroxypropyl)amino]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 6-ethyl-3-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-(3-hydroxypropyl)amino]methyl]-1H-quinolin-2-one?
The canonical SMILES for 6-ethyl-3-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-(3-hydroxypropyl)amino]methyl]-1H-quinolin-2-one is CCc1ccc2[nH]c(=O)c(CN(CCCO)Cc3nnnn3Cc3ccco3)cc2c1.
What is the InChIKey of 6-ethyl-3-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-(3-hydroxypropyl)amino]methyl]-1H-quinolin-2-one?
The InChIKey is QEUFPCHFMSCCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O3/c1-2-16-6-7-20-17(11-16)12-18(22(30)23-20)13-27(8-4-9-29)15-21-24-25-26-28(21)14-19-5-3-10-31-19/h3,5-7,10-12,29H,2,4,8-9,13-15H2,1H3,(H,23,30).
What are the key properties of 6-ethyl-3-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-(3-hydroxypropyl)amino]methyl]-1H-quinolin-2-one?
6-ethyl-3-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-(3-hydroxypropyl)amino]methyl]-1H-quinolin-2-one has a molecular weight of 422.49 g/mol, XLogP of 2.10, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-(3-hydroxypropyl)amino]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 3199053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).