8-[[2-hydroxyethyl-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]amino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one

C22H30N6O5 — CID 3203169

IUPAC8-[[2-hydroxyethyl-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]amino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
SMILESCOCCn1nnnc1C(C(C)C)N(CCO)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3
InChIInChI=1S/C22H30N6O5/c1-14(2)20(21-24-25-26-28(21)5-7-31-3)27(4-6-29)13-16-10-15-11-18-19(33-9-8-32-18)12-17(15)23-22(16)30/h10-12,14,20,29H,4-9,13H2,1-3H3,(H,23,30)
InChIKeySNNRVFLEHCHRNU-UHFFFAOYSA-N
MW458.52 g/mol
LogP1.12
Rot. Bonds10

About 8-[[2-hydroxyethyl-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]amino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one

8-[[2-hydroxyethyl-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]amino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one (PubChem CID 3203169) has the molecular formula C22H30N6O5 and a molecular weight of 458.52 g/mol. Its IUPAC name is 8-[[2-hydroxyethyl-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]amino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one.

Molecular Properties

Compound Name8-[[2-hydroxyethyl-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]amino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
PubChem CID3203169
Molecular FormulaC22H30N6O5
Molecular Weight458.52 g/mol
Exact Mass458.23
IUPAC Name8-[[2-hydroxyethyl-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]amino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
SMILESCOCCn1nnnc1C(C(C)C)N(CCO)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3
InChIInChI=1S/C22H30N6O5/c1-14(2)20(21-24-25-26-28(21)5-7-31-3)27(4-6-29)13-16-10-15-11-18-19(33-9-8-32-18)12-17(15)23-22(16)30/h10-12,14,20,29H,4-9,13H2,1-3H3,(H,23,30)
InChIKeySNNRVFLEHCHRNU-UHFFFAOYSA-N
XLogP1.12
TPSA127.62 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 8-[[2-hydroxyethyl-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]amino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one with MolForge

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Related Compounds

8-[[(4-methoxyphenyl)methyl-[(1S)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-2-methylpropyl]amino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 1436431
3-[[2-hydroxyethyl-[(1R)-2-methyl-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]propyl]amino]methyl]-6,7-dimethyl-1H-quinolin-2-one
CID 124899676
6-methoxy-3-[[[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]-(2-phenylethyl)amino]methyl]-1H-quinolin-2-one
CID 3203111
3-[[[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]-(thiophen-2-ylmethyl)amino]methyl]-7-methyl-1H-quinolin-2-one
CID 3203055
3-[[3-hydroxypropyl-[1-[1-(2-methoxyethyl)tetrazol-5-yl]ethyl]amino]methyl]-6-methyl-1H-quinolin-2-one
CID 3213035
7-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-morpholin-4-ylmethyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 28503490
3-[[cyclohexyl-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]amino]methyl]-6,7-dimethyl-1H-quinolin-2-one
CID 3203277
ethyl 2-[5-[2-methyl-1-[2-(2-methylphenyl)ethyl-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]amino]propyl]tetrazol-1-yl]acetate
CID 3204347
3-[[[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-(2-hydroxyethyl)amino]methyl]-6,7-dimethyl-1H-quinolin-2-one
CID 3203251
3-[[[(1S)-1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-(2-hydroxyethyl)amino]methyl]-6,7-dimethyl-1H-quinolin-2-one
CID 1436615
ethyl 2-[5-[(1S)-1-[(4-fluorophenyl)methyl-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]amino]-2-methylpropyl]tetrazol-1-yl]acetate
CID 1438138
3-[[3-hydroxypropyl-[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]amino]methyl]-6-methyl-1H-quinolin-2-one
CID 3213043

Frequently Asked Questions

What is the IUPAC name of 8-[[2-hydroxyethyl-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]amino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one?
The IUPAC name of 8-[[2-hydroxyethyl-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]amino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one (CID 3203169) is 8-[[2-hydroxyethyl-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]amino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one.
What is the SMILES notation for 8-[[2-hydroxyethyl-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]amino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one?
The canonical SMILES for 8-[[2-hydroxyethyl-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]amino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one is COCCn1nnnc1C(C(C)C)N(CCO)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3.
What is the InChIKey of 8-[[2-hydroxyethyl-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]amino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one?
The InChIKey is SNNRVFLEHCHRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6O5/c1-14(2)20(21-24-25-26-28(21)5-7-31-3)27(4-6-29)13-16-10-15-11-18-19(33-9-8-32-18)12-17(15)23-22(16)30/h10-12,14,20,29H,4-9,13H2,1-3H3,(H,23,30).
What are the key properties of 8-[[2-hydroxyethyl-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]amino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one?
8-[[2-hydroxyethyl-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]amino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one has a molecular weight of 458.52 g/mol, XLogP of 1.12, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[2-hydroxyethyl-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]amino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one is sourced from PubChem (CID 3203169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).