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

C25H30N6O3 — CID 645419

IUPAC6-ethyl-3-[[[1-(2-methoxyethyl)tetrazol-5-yl]methyl-[(4-methoxyphenyl)methyl]amino]methyl]-1H-quinolin-2-one
SMILESCCc1ccc2[nH]c(=O)c(CN(Cc3ccc(OC)cc3)Cc3nnnn3CCOC)cc2c1
InChIInChI=1S/C25H30N6O3/c1-4-18-7-10-23-20(13-18)14-21(25(32)26-23)16-30(15-19-5-8-22(34-3)9-6-19)17-24-27-28-29-31(24)11-12-33-2/h5-10,13-14H,4,11-12,15-17H2,1-3H3,(H,26,32)
InChIKeyFVCJBEHBPXZING-UHFFFAOYSA-N
MW462.55 g/mol
LogP2.93
Rot. Bonds11

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

6-ethyl-3-[[[1-(2-methoxyethyl)tetrazol-5-yl]methyl-[(4-methoxyphenyl)methyl]amino]methyl]-1H-quinolin-2-one (PubChem CID 645419) has the molecular formula C25H30N6O3 and a molecular weight of 462.55 g/mol. Its IUPAC name is 6-ethyl-3-[[[1-(2-methoxyethyl)tetrazol-5-yl]methyl-[(4-methoxyphenyl)methyl]amino]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-ethyl-3-[[[1-(2-methoxyethyl)tetrazol-5-yl]methyl-[(4-methoxyphenyl)methyl]amino]methyl]-1H-quinolin-2-one
PubChem CID645419
Molecular FormulaC25H30N6O3
Molecular Weight462.55 g/mol
Exact Mass462.24
IUPAC Name6-ethyl-3-[[[1-(2-methoxyethyl)tetrazol-5-yl]methyl-[(4-methoxyphenyl)methyl]amino]methyl]-1H-quinolin-2-one
SMILESCCc1ccc2[nH]c(=O)c(CN(Cc3ccc(OC)cc3)Cc3nnnn3CCOC)cc2c1
InChIInChI=1S/C25H30N6O3/c1-4-18-7-10-23-20(13-18)14-21(25(32)26-23)16-30(15-19-5-8-22(34-3)9-6-19)17-24-27-28-29-31(24)11-12-33-2/h5-10,13-14H,4,11-12,15-17H2,1-3H3,(H,26,32)
InChIKeyFVCJBEHBPXZING-UHFFFAOYSA-N
XLogP2.93
TPSA98.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-[[[1-(2-methoxyethyl)tetrazol-5-yl]methyl-[(4-methoxyphenyl)methyl]amino]methyl]-1H-quinolin-2-one?
The IUPAC name of 6-ethyl-3-[[[1-(2-methoxyethyl)tetrazol-5-yl]methyl-[(4-methoxyphenyl)methyl]amino]methyl]-1H-quinolin-2-one (CID 645419) is 6-ethyl-3-[[[1-(2-methoxyethyl)tetrazol-5-yl]methyl-[(4-methoxyphenyl)methyl]amino]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 6-ethyl-3-[[[1-(2-methoxyethyl)tetrazol-5-yl]methyl-[(4-methoxyphenyl)methyl]amino]methyl]-1H-quinolin-2-one?
The canonical SMILES for 6-ethyl-3-[[[1-(2-methoxyethyl)tetrazol-5-yl]methyl-[(4-methoxyphenyl)methyl]amino]methyl]-1H-quinolin-2-one is CCc1ccc2[nH]c(=O)c(CN(Cc3ccc(OC)cc3)Cc3nnnn3CCOC)cc2c1.
What is the InChIKey of 6-ethyl-3-[[[1-(2-methoxyethyl)tetrazol-5-yl]methyl-[(4-methoxyphenyl)methyl]amino]methyl]-1H-quinolin-2-one?
The InChIKey is FVCJBEHBPXZING-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O3/c1-4-18-7-10-23-20(13-18)14-21(25(32)26-23)16-30(15-19-5-8-22(34-3)9-6-19)17-24-27-28-29-31(24)11-12-33-2/h5-10,13-14H,4,11-12,15-17H2,1-3H3,(H,26,32).
What are the key properties of 6-ethyl-3-[[[1-(2-methoxyethyl)tetrazol-5-yl]methyl-[(4-methoxyphenyl)methyl]amino]methyl]-1H-quinolin-2-one?
6-ethyl-3-[[[1-(2-methoxyethyl)tetrazol-5-yl]methyl-[(4-methoxyphenyl)methyl]amino]methyl]-1H-quinolin-2-one has a molecular weight of 462.55 g/mol, XLogP of 2.93, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-[[[1-(2-methoxyethyl)tetrazol-5-yl]methyl-[(4-methoxyphenyl)methyl]amino]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 645419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).