3-[(R)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-[(3R)-3-methylpiperidin-1-yl]methyl]-5,8-dimethyl-1H-quinolin-2-one

C26H29FN6O — CID 25454900

IUPAC3-[(R)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-[(3R)-3-methylpiperidin-1-yl]methyl]-5,8-dimethyl-1H-quinolin-2-one
SMILESCc1ccc(C)c2[nH]c(=O)c([C@H](c3nnnn3Cc3ccc(F)cc3)N3CCC[C@@H](C)C3)cc12
InChIInChI=1S/C26H29FN6O/c1-16-5-4-12-32(14-16)24(22-13-21-17(2)6-7-18(3)23(21)28-26(22)34)25-29-30-31-33(25)15-19-8-10-20(27)11-9-19/h6-11,13,16,24H,4-5,12,14-15H2,1-3H3,(H,28,34)/t16-,24-/m1/s1
InChIKeyGNAFNXBJOILDMW-VOIUYBSRSA-N
MW460.56 g/mol
LogP4.14
Rot. Bonds5

About 3-[(R)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-[(3R)-3-methylpiperidin-1-yl]methyl]-5,8-dimethyl-1H-quinolin-2-one

3-[(R)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-[(3R)-3-methylpiperidin-1-yl]methyl]-5,8-dimethyl-1H-quinolin-2-one (PubChem CID 25454900) has the molecular formula C26H29FN6O and a molecular weight of 460.56 g/mol. Its IUPAC name is 3-[(R)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-[(3R)-3-methylpiperidin-1-yl]methyl]-5,8-dimethyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[(R)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-[(3R)-3-methylpiperidin-1-yl]methyl]-5,8-dimethyl-1H-quinolin-2-one
PubChem CID25454900
Molecular FormulaC26H29FN6O
Molecular Weight460.56 g/mol
Exact Mass460.24
IUPAC Name3-[(R)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-[(3R)-3-methylpiperidin-1-yl]methyl]-5,8-dimethyl-1H-quinolin-2-one
SMILESCc1ccc(C)c2[nH]c(=O)c([C@H](c3nnnn3Cc3ccc(F)cc3)N3CCC[C@@H](C)C3)cc12
InChIInChI=1S/C26H29FN6O/c1-16-5-4-12-32(14-16)24(22-13-21-17(2)6-7-18(3)23(21)28-26(22)34)25-29-30-31-33(25)15-19-8-10-20(27)11-9-19/h6-11,13,16,24H,4-5,12,14-15H2,1-3H3,(H,28,34)/t16-,24-/m1/s1
InChIKeyGNAFNXBJOILDMW-VOIUYBSRSA-N
XLogP4.14
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.56
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-ethyl-3-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-(3-methylpiperidin-1-yl)methyl]-1H-quinolin-2-one
CID 3182585
3-[(1-benzyltetrazol-5-yl)-(3-methylpiperidin-1-yl)methyl]-7,8-dimethyl-1H-quinolin-2-one
CID 3175304
3-[(R)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-(4-phenylpiperazin-1-yl)methyl]-5,8-dimethyl-1H-quinolin-2-one
CID 1159058
3-[(S)-(1-benzyltetrazol-5-yl)-[(3S)-3-methylpiperidin-1-yl]methyl]-5,7-dimethyl-1H-quinolin-2-one
CID 40603598
3-[(S)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-[(3R)-3-methylpiperidin-1-yl]methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 1158819
3-[(R)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-piperidin-1-ylmethyl]-8-methyl-1H-quinolin-2-one
CID 1158470
3-[(S)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-5,8-dimethyl-1H-quinolin-2-one
CID 1158947
3-[(S)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-piperidin-1-ylmethyl]-6,8-dimethyl-1H-quinolin-2-one
CID 1158806
3-[(R)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-[(3R)-3-methylpiperidin-1-yl]methyl]-7-methyl-1H-quinolin-2-one
CID 25454100
3-[(S)-[4-(4-fluorophenyl)piperazin-1-yl]-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-5,8-dimethyl-1H-quinolin-2-one
CID 1470960
3-[[4-(4-fluorophenyl)piperazin-1-yl]-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-5,8-dimethyl-1H-quinolin-2-one
CID 3195767
3-[(S)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-(4-methylpiperidin-1-yl)methyl]-6-methyl-1H-quinolin-2-one
CID 1157034

Frequently Asked Questions

What is the IUPAC name of 3-[(R)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-[(3R)-3-methylpiperidin-1-yl]methyl]-5,8-dimethyl-1H-quinolin-2-one?
The IUPAC name of 3-[(R)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-[(3R)-3-methylpiperidin-1-yl]methyl]-5,8-dimethyl-1H-quinolin-2-one (CID 25454900) is 3-[(R)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-[(3R)-3-methylpiperidin-1-yl]methyl]-5,8-dimethyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[(R)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-[(3R)-3-methylpiperidin-1-yl]methyl]-5,8-dimethyl-1H-quinolin-2-one?
The canonical SMILES for 3-[(R)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-[(3R)-3-methylpiperidin-1-yl]methyl]-5,8-dimethyl-1H-quinolin-2-one is Cc1ccc(C)c2[nH]c(=O)c([C@H](c3nnnn3Cc3ccc(F)cc3)N3CCC[C@@H](C)C3)cc12.
What is the InChIKey of 3-[(R)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-[(3R)-3-methylpiperidin-1-yl]methyl]-5,8-dimethyl-1H-quinolin-2-one?
The InChIKey is GNAFNXBJOILDMW-VOIUYBSRSA-N. The full InChI is InChI=1S/C26H29FN6O/c1-16-5-4-12-32(14-16)24(22-13-21-17(2)6-7-18(3)23(21)28-26(22)34)25-29-30-31-33(25)15-19-8-10-20(27)11-9-19/h6-11,13,16,24H,4-5,12,14-15H2,1-3H3,(H,28,34)/t16-,24-/m1/s1.
What are the key properties of 3-[(R)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-[(3R)-3-methylpiperidin-1-yl]methyl]-5,8-dimethyl-1H-quinolin-2-one?
3-[(R)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-[(3R)-3-methylpiperidin-1-yl]methyl]-5,8-dimethyl-1H-quinolin-2-one has a molecular weight of 460.56 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(R)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-[(3R)-3-methylpiperidin-1-yl]methyl]-5,8-dimethyl-1H-quinolin-2-one is sourced from PubChem (CID 25454900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).