6-methoxy-3-[[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl-[(4-methylphenyl)methyl]amino]methyl]-1H-quinolin-2-one

C26H32N6O3 — CID 652804

IUPAC6-methoxy-3-[[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl-[(4-methylphenyl)methyl]amino]methyl]-1H-quinolin-2-one
SMILESCCC(c1nnnn1CCOC)N(Cc1ccc(C)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O
InChIInChI=1S/C26H32N6O3/c1-5-24(25-28-29-30-32(25)12-13-34-3)31(16-19-8-6-18(2)7-9-19)17-21-14-20-15-22(35-4)10-11-23(20)27-26(21)33/h6-11,14-15,24H,5,12-13,16-17H2,1-4H3,(H,27,33)
InChIKeyDSLANSDNYNSJLF-UHFFFAOYSA-N
MW476.58 g/mol
LogP3.63
Rot. Bonds11

About 6-methoxy-3-[[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl-[(4-methylphenyl)methyl]amino]methyl]-1H-quinolin-2-one

6-methoxy-3-[[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl-[(4-methylphenyl)methyl]amino]methyl]-1H-quinolin-2-one (PubChem CID 652804) has the molecular formula C26H32N6O3 and a molecular weight of 476.58 g/mol. Its IUPAC name is 6-methoxy-3-[[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl-[(4-methylphenyl)methyl]amino]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-methoxy-3-[[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl-[(4-methylphenyl)methyl]amino]methyl]-1H-quinolin-2-one
PubChem CID652804
Molecular FormulaC26H32N6O3
Molecular Weight476.58 g/mol
Exact Mass476.25
IUPAC Name6-methoxy-3-[[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl-[(4-methylphenyl)methyl]amino]methyl]-1H-quinolin-2-one
SMILESCCC(c1nnnn1CCOC)N(Cc1ccc(C)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O
InChIInChI=1S/C26H32N6O3/c1-5-24(25-28-29-30-32(25)12-13-34-3)31(16-19-8-6-18(2)7-9-19)17-21-14-20-15-22(35-4)10-11-23(20)27-26(21)33/h6-11,14-15,24H,5,12-13,16-17H2,1-4H3,(H,27,33)
InChIKeyDSLANSDNYNSJLF-UHFFFAOYSA-N
XLogP3.63
TPSA98.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-methoxy-3-[[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl-[(4-methylphenyl)methyl]amino]methyl]-1H-quinolin-2-one with MolForge

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Launch Full Analysis

Related Compounds

3-((4-Cyclohexylpiperazin-1-yl)(1-phenethyl-1H-tetrazol-5-yl)methyl)-6-methoxyquinolin-2(1H)-one
CID 3195790
6-methoxy-3-[[1-(2-phenylethyl)tetrazol-5-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1H-quinolin-2-one
CID 3195792
Asn04421891
CID 3187704
3,4-Dehydrocilostazol
CID 10021885
3-[(Cyclohexyl-methyl-amino)-(1-cyclohexyl-1H-tetrazol-5-yl)-methyl]-6,7-dimethoxy-1H-quinolin-2-one
CID 644405
(5-{[(6,8-Dimethyl-2-oxo-1,2-dihydro-quinolin-3-ylmethyl)-(4-methoxy-benzyl)-amino]-methyl}-tetrazol-1-yl)-acetic acid ethyl ester
CID 644819
3-{[Cyclohexyl-(1-furan-2-ylmethyl-1H-tetrazol-5-ylmethyl)-amino]-methyl}-6-ethoxy-1H-quinolin-2-one
CID 645256
6-Ethyl-3-({(4-methoxy-benzyl)-[1-(2-methoxy-ethyl)-1H-tetrazol-5-ylmethyl]-amino}-methyl)-1H-quinolin-2-one
CID 645419
3-{Azepan-1-yl-[1-(4-methoxy-benzyl)-1H-tetrazol-5-yl]-methyl}-7-methoxy-1H-quinolin-2-one
CID 645819
3-({[1-(1-Benzyl-1H-tetrazol-5-yl)-propyl]-furan-2-ylmethyl-amino}-methyl)-6-ethoxy-1H-quinolin-2-one
CID 646133
3-{Azepan-1-yl-[1-(4-fluoro-benzyl)-1H-tetrazol-5-yl]-methyl}-7-methoxy-1H-quinolin-2-one
CID 646154
6-ethoxy-3-[[2-oxolanylmethyl-[[1-(2-phenylethyl)-5-tetrazolyl]methyl]amino]methyl]-1H-quinolin-2-one
CID 647004

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-[[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl-[(4-methylphenyl)methyl]amino]methyl]-1H-quinolin-2-one?
The IUPAC name of 6-methoxy-3-[[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl-[(4-methylphenyl)methyl]amino]methyl]-1H-quinolin-2-one (CID 652804) is 6-methoxy-3-[[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl-[(4-methylphenyl)methyl]amino]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 6-methoxy-3-[[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl-[(4-methylphenyl)methyl]amino]methyl]-1H-quinolin-2-one?
The canonical SMILES for 6-methoxy-3-[[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl-[(4-methylphenyl)methyl]amino]methyl]-1H-quinolin-2-one is CCC(c1nnnn1CCOC)N(Cc1ccc(C)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O.
What is the InChIKey of 6-methoxy-3-[[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl-[(4-methylphenyl)methyl]amino]methyl]-1H-quinolin-2-one?
The InChIKey is DSLANSDNYNSJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O3/c1-5-24(25-28-29-30-32(25)12-13-34-3)31(16-19-8-6-18(2)7-9-19)17-21-14-20-15-22(35-4)10-11-23(20)27-26(21)33/h6-11,14-15,24H,5,12-13,16-17H2,1-4H3,(H,27,33).
What are the key properties of 6-methoxy-3-[[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl-[(4-methylphenyl)methyl]amino]methyl]-1H-quinolin-2-one?
6-methoxy-3-[[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl-[(4-methylphenyl)methyl]amino]methyl]-1H-quinolin-2-one has a molecular weight of 476.58 g/mol, XLogP of 3.63, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-[[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl-[(4-methylphenyl)methyl]amino]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 652804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).