7-[[(1-cyclohexyltetrazol-5-yl)methyl-cyclopentylamino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one

C24H30N6O3 — CID 1465387

IUPAC7-[[(1-cyclohexyltetrazol-5-yl)methyl-cyclopentylamino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
SMILESO=c1[nH]c2cc3c(cc2cc1CN(Cc1nnnn1C1CCCCC1)C1CCCC1)OCO3
InChIInChI=1S/C24H30N6O3/c31-24-17(10-16-11-21-22(33-15-32-21)12-20(16)25-24)13-29(18-6-4-5-7-18)14-23-26-27-28-30(23)19-8-2-1-3-9-19/h10-12,18-19H,1-9,13-15H2,(H,25,31)
InChIKeySYESBMVUOXKICB-UHFFFAOYSA-N
MW450.54 g/mol
LogP3.69
Rot. Bonds6

About 7-[[(1-cyclohexyltetrazol-5-yl)methyl-cyclopentylamino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one

7-[[(1-cyclohexyltetrazol-5-yl)methyl-cyclopentylamino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one (PubChem CID 1465387) has the molecular formula C24H30N6O3 and a molecular weight of 450.54 g/mol. Its IUPAC name is 7-[[(1-cyclohexyltetrazol-5-yl)methyl-cyclopentylamino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one.

Molecular Properties

Compound Name7-[[(1-cyclohexyltetrazol-5-yl)methyl-cyclopentylamino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
PubChem CID1465387
Molecular FormulaC24H30N6O3
Molecular Weight450.54 g/mol
Exact Mass450.24
IUPAC Name7-[[(1-cyclohexyltetrazol-5-yl)methyl-cyclopentylamino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
SMILESO=c1[nH]c2cc3c(cc2cc1CN(Cc1nnnn1C1CCCCC1)C1CCCC1)OCO3
InChIInChI=1S/C24H30N6O3/c31-24-17(10-16-11-21-22(33-15-32-21)12-20(16)25-24)13-29(18-6-4-5-7-18)14-23-26-27-28-30(23)19-8-2-1-3-9-19/h10-12,18-19H,1-9,13-15H2,(H,25,31)
InChIKeySYESBMVUOXKICB-UHFFFAOYSA-N
XLogP3.69
TPSA98.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

7-[[cyclohexyl-[[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]amino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 1465391
8-[[(1-tert-butyltetrazol-5-yl)methyl-cyclohexylamino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 1464315
3-[[(1-cyclohexyltetrazol-5-yl)methyl-cyclopentylamino]methyl]-6-ethoxy-1H-quinolin-2-one
CID 1171725
7-[[(1-cyclopentyltetrazol-5-yl)methyl-(furan-2-ylmethyl)amino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 1465365
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
7-[[cyclohexyl-[(1R)-1-(1-cyclopentyltetrazol-5-yl)butyl]amino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 1437914
7-[(R)-(1-cyclopentyltetrazol-5-yl)-piperidin-1-ium-1-ylmethyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 6971917
3-[[(1-cyclohexyltetrazol-5-yl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-6,7-dimethyl-1H-quinolin-2-one
CID 1171302
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-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-6,7-dimethyl-1H-quinolin-2-one
CID 1171291
7-[[1,3-benzodioxol-5-ylmethyl-[(1S)-1-(1-cyclohexyltetrazol-5-yl)butyl]amino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 98105108
7-[(R)-(1-cyclopentyltetrazol-5-yl)-piperidin-1-ylmethyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 1161088

Frequently Asked Questions

What is the IUPAC name of 7-[[(1-cyclohexyltetrazol-5-yl)methyl-cyclopentylamino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
The IUPAC name of 7-[[(1-cyclohexyltetrazol-5-yl)methyl-cyclopentylamino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one (CID 1465387) is 7-[[(1-cyclohexyltetrazol-5-yl)methyl-cyclopentylamino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one.
What is the SMILES notation for 7-[[(1-cyclohexyltetrazol-5-yl)methyl-cyclopentylamino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
The canonical SMILES for 7-[[(1-cyclohexyltetrazol-5-yl)methyl-cyclopentylamino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one is O=c1[nH]c2cc3c(cc2cc1CN(Cc1nnnn1C1CCCCC1)C1CCCC1)OCO3.
What is the InChIKey of 7-[[(1-cyclohexyltetrazol-5-yl)methyl-cyclopentylamino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
The InChIKey is SYESBMVUOXKICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O3/c31-24-17(10-16-11-21-22(33-15-32-21)12-20(16)25-24)13-29(18-6-4-5-7-18)14-23-26-27-28-30(23)19-8-2-1-3-9-19/h10-12,18-19H,1-9,13-15H2,(H,25,31).
What are the key properties of 7-[[(1-cyclohexyltetrazol-5-yl)methyl-cyclopentylamino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
7-[[(1-cyclohexyltetrazol-5-yl)methyl-cyclopentylamino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one has a molecular weight of 450.54 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[(1-cyclohexyltetrazol-5-yl)methyl-cyclopentylamino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one is sourced from PubChem (CID 1465387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).