8-[[(1-cyclopentyltetrazol-5-yl)methyl-(3-hydroxypropyl)amino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one

C22H28N6O4 — CID 3199137

IUPAC8-[[(1-cyclopentyltetrazol-5-yl)methyl-(3-hydroxypropyl)amino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
SMILESO=c1[nH]c2cc3c(cc2cc1CN(CCCO)Cc1nnnn1C1CCCC1)OCCO3
InChIInChI=1S/C22H28N6O4/c29-7-3-6-27(14-21-24-25-26-28(21)17-4-1-2-5-17)13-16-10-15-11-19-20(32-9-8-31-19)12-18(15)23-22(16)30/h10-12,17,29H,1-9,13-14H2,(H,23,30)
InChIKeyFAPOEDCZUYTOHP-UHFFFAOYSA-N
MW440.50 g/mol
LogP1.79
Rot. Bonds8

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

8-[[(1-cyclopentyltetrazol-5-yl)methyl-(3-hydroxypropyl)amino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one (PubChem CID 3199137) has the molecular formula C22H28N6O4 and a molecular weight of 440.50 g/mol. Its IUPAC name is 8-[[(1-cyclopentyltetrazol-5-yl)methyl-(3-hydroxypropyl)amino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one.

Molecular Properties

Compound Name8-[[(1-cyclopentyltetrazol-5-yl)methyl-(3-hydroxypropyl)amino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
PubChem CID3199137
Molecular FormulaC22H28N6O4
Molecular Weight440.50 g/mol
Exact Mass440.22
IUPAC Name8-[[(1-cyclopentyltetrazol-5-yl)methyl-(3-hydroxypropyl)amino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
SMILESO=c1[nH]c2cc3c(cc2cc1CN(CCCO)Cc1nnnn1C1CCCC1)OCCO3
InChIInChI=1S/C22H28N6O4/c29-7-3-6-27(14-21-24-25-26-28(21)17-4-1-2-5-17)13-16-10-15-11-19-20(32-9-8-31-19)12-18(15)23-22(16)30/h10-12,17,29H,1-9,13-14H2,(H,23,30)
InChIKeyFAPOEDCZUYTOHP-UHFFFAOYSA-N
XLogP1.79
TPSA118.39 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-[[(1-tert-butyltetrazol-5-yl)methyl-(3-hydroxypropyl)amino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 23800692
8-[[1-(1-cyclohexyltetrazol-5-yl)butyl-(3-hydroxypropyl)amino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 3203546
7-[[(1-cyclopentyltetrazol-5-yl)methyl-(furan-2-ylmethyl)amino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 1465365
7-[[(1-cyclohexyltetrazol-5-yl)methyl-cyclopentylamino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 1465387
3-[[(1-cyclopentyltetrazol-5-yl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-6,7-dimethyl-1H-quinolin-2-one
CID 1171291
3-[[(1-cyclohexyltetrazol-5-yl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-6,7-dimethyl-1H-quinolin-2-one
CID 1171302
8-[[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl-(2-hydroxyethyl)amino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 1464408
8-[[cyclopentyl-[(1S)-1-(1-cyclopentyltetrazol-5-yl)butyl]amino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 1437155
3-[[(1-cyclopentyltetrazol-5-yl)methyl-(3-morpholin-4-ylpropyl)amino]methyl]-6-ethoxy-1H-quinolin-2-one
CID 1171711
3-[[(1-cyclopentyltetrazol-5-yl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-6-methyl-1H-quinolin-2-one
CID 1170587
3-[[(1-cyclopentyltetrazol-5-yl)methyl-[(4-methylphenyl)methyl]amino]methyl]-6-ethyl-1H-quinolin-2-one
CID 1464087
3-[[(1-cyclopentyltetrazol-5-yl)methyl-(pyridin-3-ylmethyl)amino]methyl]-6,7-dimethyl-1H-quinolin-2-one
CID 1171287

Frequently Asked Questions

What is the IUPAC name of 8-[[(1-cyclopentyltetrazol-5-yl)methyl-(3-hydroxypropyl)amino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one?
The IUPAC name of 8-[[(1-cyclopentyltetrazol-5-yl)methyl-(3-hydroxypropyl)amino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one (CID 3199137) is 8-[[(1-cyclopentyltetrazol-5-yl)methyl-(3-hydroxypropyl)amino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one.
What is the SMILES notation for 8-[[(1-cyclopentyltetrazol-5-yl)methyl-(3-hydroxypropyl)amino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one?
The canonical SMILES for 8-[[(1-cyclopentyltetrazol-5-yl)methyl-(3-hydroxypropyl)amino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one is O=c1[nH]c2cc3c(cc2cc1CN(CCCO)Cc1nnnn1C1CCCC1)OCCO3.
What is the InChIKey of 8-[[(1-cyclopentyltetrazol-5-yl)methyl-(3-hydroxypropyl)amino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one?
The InChIKey is FAPOEDCZUYTOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O4/c29-7-3-6-27(14-21-24-25-26-28(21)17-4-1-2-5-17)13-16-10-15-11-19-20(32-9-8-31-19)12-18(15)23-22(16)30/h10-12,17,29H,1-9,13-14H2,(H,23,30).
What are the key properties of 8-[[(1-cyclopentyltetrazol-5-yl)methyl-(3-hydroxypropyl)amino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one?
8-[[(1-cyclopentyltetrazol-5-yl)methyl-(3-hydroxypropyl)amino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one has a molecular weight of 440.50 g/mol, XLogP of 1.79, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[(1-cyclopentyltetrazol-5-yl)methyl-(3-hydroxypropyl)amino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one is sourced from PubChem (CID 3199137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).