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

C21H24N6O3 — CID 3200463

IUPAC3-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-(3-hydroxypropyl)amino]methyl]-6-methyl-1H-quinolin-2-one
SMILESCc1ccc2[nH]c(=O)c(CN(CCCO)Cc3nnnn3Cc3ccco3)cc2c1
InChIInChI=1S/C21H24N6O3/c1-15-5-6-19-16(10-15)11-17(21(29)22-19)12-26(7-3-8-28)14-20-23-24-25-27(20)13-18-4-2-9-30-18/h2,4-6,9-11,28H,3,7-8,12-14H2,1H3,(H,22,29)
InChIKeyMVVBRURQLVOPDX-UHFFFAOYSA-N
MW408.46 g/mol
LogP1.85
Rot. Bonds9

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

3-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-(3-hydroxypropyl)amino]methyl]-6-methyl-1H-quinolin-2-one (PubChem CID 3200463) has the molecular formula C21H24N6O3 and a molecular weight of 408.46 g/mol. Its IUPAC name is 3-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-(3-hydroxypropyl)amino]methyl]-6-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-(3-hydroxypropyl)amino]methyl]-6-methyl-1H-quinolin-2-one
PubChem CID3200463
Molecular FormulaC21H24N6O3
Molecular Weight408.46 g/mol
Exact Mass408.19
IUPAC Name3-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-(3-hydroxypropyl)amino]methyl]-6-methyl-1H-quinolin-2-one
SMILESCc1ccc2[nH]c(=O)c(CN(CCCO)Cc3nnnn3Cc3ccco3)cc2c1
InChIInChI=1S/C21H24N6O3/c1-15-5-6-19-16(10-15)11-17(21(29)22-19)12-26(7-3-8-28)14-20-23-24-25-27(20)13-18-4-2-9-30-18/h2,4-6,9-11,28H,3,7-8,12-14H2,1H3,(H,22,29)
InChIKeyMVVBRURQLVOPDX-UHFFFAOYSA-N
XLogP1.85
TPSA113.07 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

6-ethyl-3-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-(3-hydroxypropyl)amino]methyl]-1H-quinolin-2-one
CID 3199053
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
3-[[(1-tert-butyltetrazol-5-yl)methyl-(furan-2-ylmethyl)amino]methyl]-6-methyl-1H-quinolin-2-one
CID 1170562
[(1R)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]ethyl]-(3-hydroxypropyl)-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium
CID 7384360
6-ethyl-3-[[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl-(3-hydroxypropyl)amino]methyl]-1H-quinolin-2-one
CID 3199054
3-[[benzyl-[(1-benzyltetrazol-5-yl)methyl]amino]methyl]-6-methyl-1H-quinolin-2-one
CID 1170636
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
3-[[benzyl-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 3200597
3-[[(1-benzyltetrazol-5-yl)methyl-(furan-2-ylmethyl)amino]methyl]-6,7-dimethyl-1H-quinolin-2-one
CID 1171336
3-[[furan-2-ylmethyl-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-7,8-dimethyl-1H-quinolin-2-one
CID 1463983
3-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]-6-methoxy-1H-quinolin-2-one
CID 1463977
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

Frequently Asked Questions

What is the IUPAC name of 3-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-(3-hydroxypropyl)amino]methyl]-6-methyl-1H-quinolin-2-one?
The IUPAC name of 3-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-(3-hydroxypropyl)amino]methyl]-6-methyl-1H-quinolin-2-one (CID 3200463) is 3-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-(3-hydroxypropyl)amino]methyl]-6-methyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-(3-hydroxypropyl)amino]methyl]-6-methyl-1H-quinolin-2-one?
The canonical SMILES for 3-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-(3-hydroxypropyl)amino]methyl]-6-methyl-1H-quinolin-2-one is Cc1ccc2[nH]c(=O)c(CN(CCCO)Cc3nnnn3Cc3ccco3)cc2c1.
What is the InChIKey of 3-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-(3-hydroxypropyl)amino]methyl]-6-methyl-1H-quinolin-2-one?
The InChIKey is MVVBRURQLVOPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O3/c1-15-5-6-19-16(10-15)11-17(21(29)22-19)12-26(7-3-8-28)14-20-23-24-25-27(20)13-18-4-2-9-30-18/h2,4-6,9-11,28H,3,7-8,12-14H2,1H3,(H,22,29).
What are the key properties of 3-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-(3-hydroxypropyl)amino]methyl]-6-methyl-1H-quinolin-2-one?
3-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-(3-hydroxypropyl)amino]methyl]-6-methyl-1H-quinolin-2-one has a molecular weight of 408.46 g/mol, XLogP of 1.85, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-(3-hydroxypropyl)amino]methyl]-6-methyl-1H-quinolin-2-one is sourced from PubChem (CID 3200463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).