6-methyl-3-[(R)-morpholin-4-yl-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one

C24H26N6O2 — CID 1454854

IUPAC6-methyl-3-[(R)-morpholin-4-yl-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one
SMILESCc1ccc2[nH]c(=O)c([C@H](c3nnnn3CCc3ccccc3)N3CCOCC3)cc2c1
InChIInChI=1S/C24H26N6O2/c1-17-7-8-21-19(15-17)16-20(24(31)25-21)22(29-11-13-32-14-12-29)23-26-27-28-30(23)10-9-18-5-3-2-4-6-18/h2-8,15-16,22H,9-14H2,1H3,(H,25,31)/t22-/m1/s1
InChIKeyJJJFROPLRSUUDW-JOCHJYFZSA-N
MW430.51 g/mol
LogP2.49
Rot. Bonds6

About 6-methyl-3-[(R)-morpholin-4-yl-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one

6-methyl-3-[(R)-morpholin-4-yl-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one (PubChem CID 1454854) has the molecular formula C24H26N6O2 and a molecular weight of 430.51 g/mol. Its IUPAC name is 6-methyl-3-[(R)-morpholin-4-yl-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-methyl-3-[(R)-morpholin-4-yl-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one
PubChem CID1454854
Molecular FormulaC24H26N6O2
Molecular Weight430.51 g/mol
Exact Mass430.21
IUPAC Name6-methyl-3-[(R)-morpholin-4-yl-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one
SMILESCc1ccc2[nH]c(=O)c([C@H](c3nnnn3CCc3ccccc3)N3CCOCC3)cc2c1
InChIInChI=1S/C24H26N6O2/c1-17-7-8-21-19(15-17)16-20(24(31)25-21)22(29-11-13-32-14-12-29)23-26-27-28-30(23)10-9-18-5-3-2-4-6-18/h2-8,15-16,22H,9-14H2,1H3,(H,25,31)/t22-/m1/s1
InChIKeyJJJFROPLRSUUDW-JOCHJYFZSA-N
XLogP2.49
TPSA88.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

7-[(S)-morpholin-4-yl-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 1454869
3-[(S)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-morpholin-4-ylmethyl]-6-methyl-1H-quinolin-2-one
CID 1157693
6-ethyl-3-[(S)-[1-(2-phenylethyl)tetrazol-5-yl]-(4-phenylpiperazin-1-yl)methyl]-1H-quinolin-2-one
CID 1471129
6-methoxy-3-[(R)-[4-(4-methoxyphenyl)piperazin-1-yl]-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one
CID 98100892
3-[(1-benzyltetrazol-5-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methyl]-6-methyl-1H-quinolin-2-one
CID 3175171
4-[(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]morpholine;hydrochloride
CID 171668621
3-[(R)-(4-benzylpiperazin-1-yl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-6-methyl-1H-quinolin-2-one
CID 1157663
3-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methylpiperazin-1-yl)methyl]-6-methyl-1H-quinolin-2-one
CID 3695231
3-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-piperidin-1-ylmethyl]-6-methyl-1H-quinolin-2-one
CID 7116827
6,8-dimethyl-3-[[1-(2-phenylethyl)tetrazol-5-yl]-thiomorpholin-4-ylmethyl]-1H-quinolin-2-one
CID 3213484
3-[(S)-(1-benzyltetrazol-5-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methyl]-6-methyl-1H-quinolin-2-one
CID 1144935
6,8-dimethyl-3-[(S)-[1-(2-phenylethyl)tetrazol-5-yl]-thiomorpholin-4-ylmethyl]-1H-quinolin-2-one
CID 1454857

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[(R)-morpholin-4-yl-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one?
The IUPAC name of 6-methyl-3-[(R)-morpholin-4-yl-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one (CID 1454854) is 6-methyl-3-[(R)-morpholin-4-yl-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 6-methyl-3-[(R)-morpholin-4-yl-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one?
The canonical SMILES for 6-methyl-3-[(R)-morpholin-4-yl-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one is Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3CCc3ccccc3)N3CCOCC3)cc2c1.
What is the InChIKey of 6-methyl-3-[(R)-morpholin-4-yl-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one?
The InChIKey is JJJFROPLRSUUDW-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H26N6O2/c1-17-7-8-21-19(15-17)16-20(24(31)25-21)22(29-11-13-32-14-12-29)23-26-27-28-30(23)10-9-18-5-3-2-4-6-18/h2-8,15-16,22H,9-14H2,1H3,(H,25,31)/t22-/m1/s1.
What are the key properties of 6-methyl-3-[(R)-morpholin-4-yl-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one?
6-methyl-3-[(R)-morpholin-4-yl-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one has a molecular weight of 430.51 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[(R)-morpholin-4-yl-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 1454854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).