7-[[[1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-(3-hydroxypropyl)amino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one

C26H30N6O4 — CID 650484

IUPAC7-[[[1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-(3-hydroxypropyl)amino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
SMILESCC(C)C(c1nnnn1Cc1ccccc1)N(CCCO)Cc1cc2cc3c(cc2[nH]c1=O)OCO3
InChIInChI=1S/C26H30N6O4/c1-17(2)24(25-28-29-30-32(25)14-18-7-4-3-5-8-18)31(9-6-10-33)15-20-11-19-12-22-23(36-16-35-22)13-21(19)27-26(20)34/h3-5,7-8,11-13,17,24,33H,6,9-10,14-16H2,1-2H3,(H,27,34)
InChIKeyRDSGOKFDFSFIQW-UHFFFAOYSA-N
MW490.56 g/mol
LogP2.87
Rot. Bonds10

About 7-[[[1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-(3-hydroxypropyl)amino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one

7-[[[1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-(3-hydroxypropyl)amino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one (PubChem CID 650484) has the molecular formula C26H30N6O4 and a molecular weight of 490.56 g/mol. Its IUPAC name is 7-[[[1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-(3-hydroxypropyl)amino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one.

Molecular Properties

Compound Name7-[[[1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-(3-hydroxypropyl)amino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
PubChem CID650484
Molecular FormulaC26H30N6O4
Molecular Weight490.56 g/mol
Exact Mass490.23
IUPAC Name7-[[[1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-(3-hydroxypropyl)amino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
SMILESCC(C)C(c1nnnn1Cc1ccccc1)N(CCCO)Cc1cc2cc3c(cc2[nH]c1=O)OCO3
InChIInChI=1S/C26H30N6O4/c1-17(2)24(25-28-29-30-32(25)14-18-7-4-3-5-8-18)31(9-6-10-33)15-20-11-19-12-22-23(36-16-35-22)13-21(19)27-26(20)34/h3-5,7-8,11-13,17,24,33H,6,9-10,14-16H2,1-2H3,(H,27,34)
InChIKeyRDSGOKFDFSFIQW-UHFFFAOYSA-N
XLogP2.87
TPSA118.39 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.56
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 7-[[[1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-(3-hydroxypropyl)amino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-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

3-[(Cyclohexyl-methyl-amino)-(1-cyclohexyl-1H-tetrazol-5-yl)-methyl]-6,7-dimethoxy-1H-quinolin-2-one
CID 644405
7-{[[1-(4-Fluoro-benzyl)-1H-tetrazol-5-ylmethyl]-(3-hydroxy-propyl)-amino]-methyl}-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 644510
7-[[furan-2-ylmethyl-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]amino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 645377
7-{(4-Methyl-piperidin-1-yl)-[1-(tetrahydro-furan-2-ylmethyl)-1H-tetrazol-5-yl]-methyl}-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 645517
3-[(1-tert-Butyl-1H-tetrazol-5-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)-methyl]-6,7-dimethoxy-1H-quinolin-2-one
CID 646601
3-[(1-tert-Butyl-1H-tetrazol-5-yl)-(2,3-dihydro-indol-1-yl)-methyl]-6,7-dimethoxy-1H-quinolin-2-one
CID 647043
3-[(1-Benzo[1,3]dioxol-5-ylmethyl-1H-tetrazol-5-yl)-pyrrolidin-1-yl-methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 647230
3-{[Benzo[1,3]dioxol-5-ylmethyl-(1-cyclopentyl-1H-tetrazol-5-ylmethyl)-amino]-methyl}-6-methyl-1H-quinolin-2-one
CID 647593
7-[[1-(2-oxolanylmethyl)-5-tetrazolyl]-(1-pyrrolidinyl)methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 647856
3-({Cyclopentyl-[1-(2-methoxy-ethyl)-1H-tetrazol-5-ylmethyl]-amino}-methyl)-6,7-dimethoxy-1H-quinolin-2-one
CID 648795
7-[(1-tert-Butyl-1H-tetrazol-5-yl)-(4-propyl-piperazin-1-yl)-methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 649233
3-{[Benzo[1,3]dioxol-5-ylmethyl-(1-cyclopentyl-1H-tetrazol-5-ylmethyl)-amino]-methyl}-6,8-dimethyl-1H-quinolin-2-one
CID 649320

Frequently Asked Questions

What is the IUPAC name of 7-[[[1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-(3-hydroxypropyl)amino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
The IUPAC name of 7-[[[1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-(3-hydroxypropyl)amino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one (CID 650484) is 7-[[[1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-(3-hydroxypropyl)amino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one.
What is the SMILES notation for 7-[[[1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-(3-hydroxypropyl)amino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
The canonical SMILES for 7-[[[1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-(3-hydroxypropyl)amino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one is CC(C)C(c1nnnn1Cc1ccccc1)N(CCCO)Cc1cc2cc3c(cc2[nH]c1=O)OCO3.
What is the InChIKey of 7-[[[1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-(3-hydroxypropyl)amino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
The InChIKey is RDSGOKFDFSFIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O4/c1-17(2)24(25-28-29-30-32(25)14-18-7-4-3-5-8-18)31(9-6-10-33)15-20-11-19-12-22-23(36-16-35-22)13-21(19)27-26(20)34/h3-5,7-8,11-13,17,24,33H,6,9-10,14-16H2,1-2H3,(H,27,34).
What are the key properties of 7-[[[1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-(3-hydroxypropyl)amino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
7-[[[1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-(3-hydroxypropyl)amino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one has a molecular weight of 490.56 g/mol, XLogP of 2.87, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[[1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-(3-hydroxypropyl)amino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one is sourced from PubChem (CID 650484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).