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

C26H29FN6O — CID 3182585

IUPAC6-ethyl-3-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-(3-methylpiperidin-1-yl)methyl]-1H-quinolin-2-one
SMILESCCc1ccc2[nH]c(=O)c(C(c3nnnn3Cc3ccc(F)cc3)N3CCCC(C)C3)cc2c1
InChIInChI=1S/C26H29FN6O/c1-3-18-8-11-23-20(13-18)14-22(26(34)28-23)24(32-12-4-5-17(2)15-32)25-29-30-31-33(25)16-19-6-9-21(27)10-7-19/h6-11,13-14,17,24H,3-5,12,15-16H2,1-2H3,(H,28,34)
InChIKeyWPAHGFIPDJSEDH-UHFFFAOYSA-N
MW460.56 g/mol
LogP4.09
Rot. Bonds6

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

6-ethyl-3-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-(3-methylpiperidin-1-yl)methyl]-1H-quinolin-2-one (PubChem CID 3182585) has the molecular formula C26H29FN6O and a molecular weight of 460.56 g/mol. Its IUPAC name is 6-ethyl-3-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-(3-methylpiperidin-1-yl)methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-ethyl-3-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-(3-methylpiperidin-1-yl)methyl]-1H-quinolin-2-one
PubChem CID3182585
Molecular FormulaC26H29FN6O
Molecular Weight460.56 g/mol
Exact Mass460.24
IUPAC Name6-ethyl-3-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-(3-methylpiperidin-1-yl)methyl]-1H-quinolin-2-one
SMILESCCc1ccc2[nH]c(=O)c(C(c3nnnn3Cc3ccc(F)cc3)N3CCCC(C)C3)cc2c1
InChIInChI=1S/C26H29FN6O/c1-3-18-8-11-23-20(13-18)14-22(26(34)28-23)24(32-12-4-5-17(2)15-32)25-29-30-31-33(25)16-19-6-9-21(27)10-7-19/h6-11,13-14,17,24H,3-5,12,15-16H2,1-2H3,(H,28,34)
InChIKeyWPAHGFIPDJSEDH-UHFFFAOYSA-N
XLogP4.09
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.56
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

6-ethyl-3-[(S)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-(4-hydroxypiperidin-1-yl)methyl]-1H-quinolin-2-one
CID 6551139
3-[(R)-(1-cyclohexyltetrazol-5-yl)-[(3R)-3-methylpiperidin-1-yl]methyl]-6-ethyl-1H-quinolin-2-one
CID 25305759
3-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-(4-methylpiperidin-1-yl)methyl]-6-methyl-1H-quinolin-2-one
CID 3182480
3-[(S)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-(4-methylpiperidin-1-yl)methyl]-6-methyl-1H-quinolin-2-one
CID 1157034
3-[(R)-(1-benzyltetrazol-5-yl)-piperidin-1-ylmethyl]-6-ethyl-1H-quinolin-2-one
CID 1148307
6-ethoxy-3-[(S)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-(4-methylpiperidin-1-yl)methyl]-1H-quinolin-2-one
CID 1160272
3-[(R)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-[(3R)-3-methylpiperidin-1-yl]methyl]-5,8-dimethyl-1H-quinolin-2-one
CID 25454900
3-[(S)-(1-benzyltetrazol-5-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methyl]-6-ethyl-1H-quinolin-2-one
CID 1148340
7-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-(3-methylpiperidin-1-yl)methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 3183663
3-[(R)-(4-benzylpiperidin-1-yl)-(1-benzyltetrazol-5-yl)methyl]-6-ethyl-1H-quinolin-2-one
CID 40595291
3-[(S)-azepan-1-yl-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-6-ethoxy-1H-quinolin-2-one
CID 1160310
3-[(R)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-[(3R)-3-methylpiperidin-1-yl]methyl]-7-methyl-1H-quinolin-2-one
CID 25454100

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-(3-methylpiperidin-1-yl)methyl]-1H-quinolin-2-one?
The IUPAC name of 6-ethyl-3-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-(3-methylpiperidin-1-yl)methyl]-1H-quinolin-2-one (CID 3182585) is 6-ethyl-3-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-(3-methylpiperidin-1-yl)methyl]-1H-quinolin-2-one.
What is the SMILES notation for 6-ethyl-3-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-(3-methylpiperidin-1-yl)methyl]-1H-quinolin-2-one?
The canonical SMILES for 6-ethyl-3-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-(3-methylpiperidin-1-yl)methyl]-1H-quinolin-2-one is CCc1ccc2[nH]c(=O)c(C(c3nnnn3Cc3ccc(F)cc3)N3CCCC(C)C3)cc2c1.
What is the InChIKey of 6-ethyl-3-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-(3-methylpiperidin-1-yl)methyl]-1H-quinolin-2-one?
The InChIKey is WPAHGFIPDJSEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN6O/c1-3-18-8-11-23-20(13-18)14-22(26(34)28-23)24(32-12-4-5-17(2)15-32)25-29-30-31-33(25)16-19-6-9-21(27)10-7-19/h6-11,13-14,17,24H,3-5,12,15-16H2,1-2H3,(H,28,34).
What are the key properties of 6-ethyl-3-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-(3-methylpiperidin-1-yl)methyl]-1H-quinolin-2-one?
6-ethyl-3-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-(3-methylpiperidin-1-yl)methyl]-1H-quinolin-2-one has a molecular weight of 460.56 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-(3-methylpiperidin-1-yl)methyl]-1H-quinolin-2-one is sourced from PubChem (CID 3182585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).