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

C24H27FN6O2 — CID 3199054

IUPAC6-ethyl-3-[[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl-(3-hydroxypropyl)amino]methyl]-1H-quinolin-2-one
SMILESCCc1ccc2[nH]c(=O)c(CN(CCCO)Cc3nnnn3Cc3ccc(F)cc3)cc2c1
InChIInChI=1S/C24H27FN6O2/c1-2-17-6-9-22-19(12-17)13-20(24(33)26-22)15-30(10-3-11-32)16-23-27-28-29-31(23)14-18-4-7-21(25)8-5-18/h4-9,12-13,32H,2-3,10-11,14-16H2,1H3,(H,26,33)
InChIKeyKFFNYRLGECKLJC-UHFFFAOYSA-N
MW450.52 g/mol
LogP2.65
Rot. Bonds10

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

6-ethyl-3-[[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl-(3-hydroxypropyl)amino]methyl]-1H-quinolin-2-one (PubChem CID 3199054) has the molecular formula C24H27FN6O2 and a molecular weight of 450.52 g/mol. Its IUPAC name is 6-ethyl-3-[[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl-(3-hydroxypropyl)amino]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-ethyl-3-[[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl-(3-hydroxypropyl)amino]methyl]-1H-quinolin-2-one
PubChem CID3199054
Molecular FormulaC24H27FN6O2
Molecular Weight450.52 g/mol
Exact Mass450.22
IUPAC Name6-ethyl-3-[[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl-(3-hydroxypropyl)amino]methyl]-1H-quinolin-2-one
SMILESCCc1ccc2[nH]c(=O)c(CN(CCCO)Cc3nnnn3Cc3ccc(F)cc3)cc2c1
InChIInChI=1S/C24H27FN6O2/c1-2-17-6-9-22-19(12-17)13-20(24(33)26-22)15-30(10-3-11-32)16-23-27-28-29-31(23)14-18-4-7-21(25)8-5-18/h4-9,12-13,32H,2-3,10-11,14-16H2,1H3,(H,26,33)
InChIKeyKFFNYRLGECKLJC-UHFFFAOYSA-N
XLogP2.65
TPSA99.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.52
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

6-ethyl-3-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-(3-hydroxypropyl)amino]methyl]-1H-quinolin-2-one
CID 3199053
3-[[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl-(3-hydroxypropyl)amino]methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 3200468
8-[[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl-(2-hydroxyethyl)amino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 1464408
6-ethyl-3-[[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl-(2-phenylethyl)amino]methyl]-1H-quinolin-2-one
CID 1170760
3-[[1,3-benzodioxol-5-ylmethyl-[(1-benzyltetrazol-5-yl)methyl]amino]methyl]-6-ethyl-1H-quinolin-2-one
CID 1170742
3-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-(3-hydroxypropyl)amino]methyl]-6-methyl-1H-quinolin-2-one
CID 3200463
3-[[3-hydroxypropyl-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]amino]methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 3200354
3-[[1,3-benzodioxol-5-ylmethyl-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]amino]methyl]-6-methyl-1H-quinolin-2-one
CID 3200486
3-[[(1-benzyltetrazol-5-yl)methyl-[(4-fluorophenyl)methyl]amino]methyl]-6,7-dimethoxy-1H-quinolin-2-one
CID 1464269
6-methoxy-3-[[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl-(2-phenylethyl)amino]methyl]-1H-quinolin-2-one
CID 1171664
3-[[benzyl-[(1-benzyltetrazol-5-yl)methyl]amino]methyl]-6-methyl-1H-quinolin-2-one
CID 1170636
7-[[(4-fluorophenyl)methyl-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]amino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 1430217

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-[[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl-(3-hydroxypropyl)amino]methyl]-1H-quinolin-2-one?
The IUPAC name of 6-ethyl-3-[[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl-(3-hydroxypropyl)amino]methyl]-1H-quinolin-2-one (CID 3199054) is 6-ethyl-3-[[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl-(3-hydroxypropyl)amino]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 6-ethyl-3-[[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl-(3-hydroxypropyl)amino]methyl]-1H-quinolin-2-one?
The canonical SMILES for 6-ethyl-3-[[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl-(3-hydroxypropyl)amino]methyl]-1H-quinolin-2-one is CCc1ccc2[nH]c(=O)c(CN(CCCO)Cc3nnnn3Cc3ccc(F)cc3)cc2c1.
What is the InChIKey of 6-ethyl-3-[[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl-(3-hydroxypropyl)amino]methyl]-1H-quinolin-2-one?
The InChIKey is KFFNYRLGECKLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN6O2/c1-2-17-6-9-22-19(12-17)13-20(24(33)26-22)15-30(10-3-11-32)16-23-27-28-29-31(23)14-18-4-7-21(25)8-5-18/h4-9,12-13,32H,2-3,10-11,14-16H2,1H3,(H,26,33).
What are the key properties of 6-ethyl-3-[[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl-(3-hydroxypropyl)amino]methyl]-1H-quinolin-2-one?
6-ethyl-3-[[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl-(3-hydroxypropyl)amino]methyl]-1H-quinolin-2-one has a molecular weight of 450.52 g/mol, XLogP of 2.65, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-[[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl-(3-hydroxypropyl)amino]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 3199054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).