6-ethyl-3-[[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl-(2-phenylethyl)amino]methyl]-1H-quinolin-2-one

C30H32N6O2 — CID 1170760

IUPAC6-ethyl-3-[[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl-(2-phenylethyl)amino]methyl]-1H-quinolin-2-one
SMILESCCc1ccc2[nH]c(=O)c(CN(CCc3ccccc3)Cc3nnnn3Cc3ccc(OC)cc3)cc2c1
InChIInChI=1S/C30H32N6O2/c1-3-22-11-14-28-25(17-22)18-26(30(37)31-28)20-35(16-15-23-7-5-4-6-8-23)21-29-32-33-34-36(29)19-24-9-12-27(38-2)13-10-24/h4-14,17-18H,3,15-16,19-21H2,1-2H3,(H,31,37)
InChIKeyHESUCSJRBTXTAK-UHFFFAOYSA-N
MW508.63 g/mol
LogP4.38
Rot. Bonds11

About 6-ethyl-3-[[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl-(2-phenylethyl)amino]methyl]-1H-quinolin-2-one

6-ethyl-3-[[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl-(2-phenylethyl)amino]methyl]-1H-quinolin-2-one (PubChem CID 1170760) has the molecular formula C30H32N6O2 and a molecular weight of 508.63 g/mol. Its IUPAC name is 6-ethyl-3-[[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl-(2-phenylethyl)amino]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-ethyl-3-[[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl-(2-phenylethyl)amino]methyl]-1H-quinolin-2-one
PubChem CID1170760
Molecular FormulaC30H32N6O2
Molecular Weight508.63 g/mol
Exact Mass508.26
IUPAC Name6-ethyl-3-[[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl-(2-phenylethyl)amino]methyl]-1H-quinolin-2-one
SMILESCCc1ccc2[nH]c(=O)c(CN(CCc3ccccc3)Cc3nnnn3Cc3ccc(OC)cc3)cc2c1
InChIInChI=1S/C30H32N6O2/c1-3-22-11-14-28-25(17-22)18-26(30(37)31-28)20-35(16-15-23-7-5-4-6-8-23)21-29-32-33-34-36(29)19-24-9-12-27(38-2)13-10-24/h4-14,17-18H,3,15-16,19-21H2,1-2H3,(H,31,37)
InChIKeyHESUCSJRBTXTAK-UHFFFAOYSA-N
XLogP4.38
TPSA88.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.63
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-ethyl-3-[[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl-(2-phenylethyl)amino]methyl]-1H-quinolin-2-one with MolForge

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Related Compounds

6-methoxy-3-[[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl-(2-phenylethyl)amino]methyl]-1H-quinolin-2-one
CID 1171664
3-[[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl-(2-phenylethyl)amino]methyl]-5,7-dimethyl-1H-quinolin-2-one
CID 1171457
6-methoxy-3-[[[1-(2-methoxyethyl)tetrazol-5-yl]methyl-(2-phenylethyl)amino]methyl]-1H-quinolin-2-one
CID 3199035
6-ethoxy-3-[[2-phenylethyl-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]amino]methyl]-1H-quinolin-2-one
CID 3200642
3-[[(1-benzyltetrazol-5-yl)methyl-(pyridin-3-ylmethyl)amino]methyl]-6-methoxy-1H-quinolin-2-one
CID 1171642
3-[[1,3-benzodioxol-5-ylmethyl-[(1-benzyltetrazol-5-yl)methyl]amino]methyl]-6-ethyl-1H-quinolin-2-one
CID 1170742
6-methoxy-3-[[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl-(pyridin-3-ylmethyl)amino]methyl]-1H-quinolin-2-one
CID 1171654
6-ethyl-3-[[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl-(3-hydroxypropyl)amino]methyl]-1H-quinolin-2-one
CID 3199054
3-[[(1-cyclohexyltetrazol-5-yl)methyl-(2-phenylethyl)amino]methyl]-6-ethyl-1H-quinolin-2-one
CID 1170713
6-methoxy-3-[[[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl-(2-phenylethyl)amino]methyl]-1H-quinolin-2-one
CID 1171637
3-[[2-(3,4-dimethoxyphenyl)ethyl-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]amino]methyl]-6-methyl-1H-quinolin-2-one
CID 3200650
3-[[2-(3,4-dimethoxyphenyl)ethyl-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]amino]methyl]-7-methoxy-1H-quinolin-2-one
CID 1463938

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-[[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl-(2-phenylethyl)amino]methyl]-1H-quinolin-2-one?
The IUPAC name of 6-ethyl-3-[[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl-(2-phenylethyl)amino]methyl]-1H-quinolin-2-one (CID 1170760) is 6-ethyl-3-[[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl-(2-phenylethyl)amino]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 6-ethyl-3-[[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl-(2-phenylethyl)amino]methyl]-1H-quinolin-2-one?
The canonical SMILES for 6-ethyl-3-[[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl-(2-phenylethyl)amino]methyl]-1H-quinolin-2-one is CCc1ccc2[nH]c(=O)c(CN(CCc3ccccc3)Cc3nnnn3Cc3ccc(OC)cc3)cc2c1.
What is the InChIKey of 6-ethyl-3-[[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl-(2-phenylethyl)amino]methyl]-1H-quinolin-2-one?
The InChIKey is HESUCSJRBTXTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N6O2/c1-3-22-11-14-28-25(17-22)18-26(30(37)31-28)20-35(16-15-23-7-5-4-6-8-23)21-29-32-33-34-36(29)19-24-9-12-27(38-2)13-10-24/h4-14,17-18H,3,15-16,19-21H2,1-2H3,(H,31,37).
What are the key properties of 6-ethyl-3-[[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl-(2-phenylethyl)amino]methyl]-1H-quinolin-2-one?
6-ethyl-3-[[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl-(2-phenylethyl)amino]methyl]-1H-quinolin-2-one has a molecular weight of 508.63 g/mol, XLogP of 4.38, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-[[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl-(2-phenylethyl)amino]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 1170760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).