3-[[(2-methoxyphenyl)methyl-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-6-methyl-1H-quinolin-2-one

C26H30N6O3 — CID 650711

IUPAC3-[[(2-methoxyphenyl)methyl-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-6-methyl-1H-quinolin-2-one
SMILESCOc1ccccc1CN(Cc1cc2cc(C)ccc2[nH]c1=O)Cc1nnnn1CC1CCCO1
InChIInChI=1S/C26H30N6O3/c1-18-9-10-23-20(12-18)13-21(26(33)27-23)15-31(14-19-6-3-4-8-24(19)34-2)17-25-28-29-30-32(25)16-22-7-5-11-35-22/h3-4,6,8-10,12-13,22H,5,7,11,14-17H2,1-2H3,(H,27,33)
InChIKeySNSWOQLDMFZBTI-UHFFFAOYSA-N
MW474.57 g/mol
LogP3.21
Rot. Bonds9

About 3-[[(2-methoxyphenyl)methyl-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-6-methyl-1H-quinolin-2-one

3-[[(2-methoxyphenyl)methyl-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-6-methyl-1H-quinolin-2-one (PubChem CID 650711) has the molecular formula C26H30N6O3 and a molecular weight of 474.57 g/mol. Its IUPAC name is 3-[[(2-methoxyphenyl)methyl-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-6-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[(2-methoxyphenyl)methyl-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-6-methyl-1H-quinolin-2-one
PubChem CID650711
Molecular FormulaC26H30N6O3
Molecular Weight474.57 g/mol
Exact Mass474.24
IUPAC Name3-[[(2-methoxyphenyl)methyl-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-6-methyl-1H-quinolin-2-one
SMILESCOc1ccccc1CN(Cc1cc2cc(C)ccc2[nH]c1=O)Cc1nnnn1CC1CCCO1
InChIInChI=1S/C26H30N6O3/c1-18-9-10-23-20(12-18)13-21(26(33)27-23)15-31(14-19-6-3-4-8-24(19)34-2)17-25-28-29-30-32(25)16-22-7-5-11-35-22/h3-4,6,8-10,12-13,22H,5,7,11,14-17H2,1-2H3,(H,27,33)
InChIKeySNSWOQLDMFZBTI-UHFFFAOYSA-N
XLogP3.21
TPSA98.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.57
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[[(2-methoxyphenyl)methyl-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-6-methyl-1H-quinolin-2-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

Asn04421891
CID 3187704
(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
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
6-ethyl-3-[[[1-(2-furanylmethyl)-5-tetrazolyl]methyl-(phenylmethyl)amino]methyl]-1H-quinolin-2-one
CID 646225
6-ethoxy-3-[[2-oxolanylmethyl-[[1-(2-phenylethyl)-5-tetrazolyl]methyl]amino]methyl]-1H-quinolin-2-one
CID 647004
3-[1-azepanyl-[1-(phenylmethyl)-5-tetrazolyl]methyl]-7-methoxy-1H-quinolin-2-one
CID 647557
6-Ethyl-3-{[1-(4-methoxy-benzyl)-1H-tetrazol-5-yl]-morpholin-4-yl-methyl}-1H-quinolin-2-one
CID 647792
3-({Benzyl-[1-(tetrahydro-furan-2-ylmethyl)-1H-tetrazol-5-ylmethyl]-amino}-methyl)-6-methoxy-1H-quinolin-2-one
CID 648431
3-{(4-Benzyl-piperidin-1-yl)-[1-(2-methoxy-ethyl)-1H-tetrazol-5-yl]-methyl}-6-methoxy-1H-quinolin-2-one
CID 648854
3-{[(1-Cyclopentyl-1H-tetrazol-5-ylmethyl)-(4-methoxy-benzyl)-amino]-methyl}-7-methyl-1H-quinolin-2-one
CID 649279
3-{[1-(4-Methoxy-benzyl)-1H-tetrazol-5-yl]-morpholin-4-yl-methyl}-6-methyl-1H-quinolin-2-one
CID 649411

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-methoxyphenyl)methyl-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-6-methyl-1H-quinolin-2-one?
The IUPAC name of 3-[[(2-methoxyphenyl)methyl-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-6-methyl-1H-quinolin-2-one (CID 650711) is 3-[[(2-methoxyphenyl)methyl-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-6-methyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[[(2-methoxyphenyl)methyl-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-6-methyl-1H-quinolin-2-one?
The canonical SMILES for 3-[[(2-methoxyphenyl)methyl-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-6-methyl-1H-quinolin-2-one is COc1ccccc1CN(Cc1cc2cc(C)ccc2[nH]c1=O)Cc1nnnn1CC1CCCO1.
What is the InChIKey of 3-[[(2-methoxyphenyl)methyl-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-6-methyl-1H-quinolin-2-one?
The InChIKey is SNSWOQLDMFZBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O3/c1-18-9-10-23-20(12-18)13-21(26(33)27-23)15-31(14-19-6-3-4-8-24(19)34-2)17-25-28-29-30-32(25)16-22-7-5-11-35-22/h3-4,6,8-10,12-13,22H,5,7,11,14-17H2,1-2H3,(H,27,33).
What are the key properties of 3-[[(2-methoxyphenyl)methyl-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-6-methyl-1H-quinolin-2-one?
3-[[(2-methoxyphenyl)methyl-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-6-methyl-1H-quinolin-2-one has a molecular weight of 474.57 g/mol, XLogP of 3.21, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-methoxyphenyl)methyl-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-6-methyl-1H-quinolin-2-one is sourced from PubChem (CID 650711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).