3-[(1-benzyltetrazol-5-yl)-morpholin-4-ylmethyl]-7-methoxy-1H-quinolin-2-one

C23H24N6O3 — CID 3175526

IUPAC3-[(1-benzyltetrazol-5-yl)-morpholin-4-ylmethyl]-7-methoxy-1H-quinolin-2-one
SMILESCOc1ccc2cc(C(c3nnnn3Cc3ccccc3)N3CCOCC3)c(=O)[nH]c2c1
InChIInChI=1S/C23H24N6O3/c1-31-18-8-7-17-13-19(23(30)24-20(17)14-18)21(28-9-11-32-12-10-28)22-25-26-27-29(22)15-16-5-3-2-4-6-16/h2-8,13-14,21H,9-12,15H2,1H3,(H,24,30)
InChIKeyDKXHJFUPSILEGJ-UHFFFAOYSA-N
MW432.48 g/mol
LogP1.99
Rot. Bonds6

About 3-[(1-benzyltetrazol-5-yl)-morpholin-4-ylmethyl]-7-methoxy-1H-quinolin-2-one

3-[(1-benzyltetrazol-5-yl)-morpholin-4-ylmethyl]-7-methoxy-1H-quinolin-2-one (PubChem CID 3175526) has the molecular formula C23H24N6O3 and a molecular weight of 432.48 g/mol. Its IUPAC name is 3-[(1-benzyltetrazol-5-yl)-morpholin-4-ylmethyl]-7-methoxy-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[(1-benzyltetrazol-5-yl)-morpholin-4-ylmethyl]-7-methoxy-1H-quinolin-2-one
PubChem CID3175526
Molecular FormulaC23H24N6O3
Molecular Weight432.48 g/mol
Exact Mass432.19
IUPAC Name3-[(1-benzyltetrazol-5-yl)-morpholin-4-ylmethyl]-7-methoxy-1H-quinolin-2-one
SMILESCOc1ccc2cc(C(c3nnnn3Cc3ccccc3)N3CCOCC3)c(=O)[nH]c2c1
InChIInChI=1S/C23H24N6O3/c1-31-18-8-7-17-13-19(23(30)24-20(17)14-18)21(28-9-11-32-12-10-28)22-25-26-27-29(22)15-16-5-3-2-4-6-16/h2-8,13-14,21H,9-12,15H2,1H3,(H,24,30)
InChIKeyDKXHJFUPSILEGJ-UHFFFAOYSA-N
XLogP1.99
TPSA98.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-[(R)-(1-benzyltetrazol-5-yl)-(4-hydroxypiperidin-1-yl)methyl]-7-methoxy-1H-quinolin-2-one
CID 1159946
3-[(S)-(4-benzylpiperidin-1-yl)-(1-benzyltetrazol-5-yl)methyl]-7-methoxy-1H-quinolin-2-one
CID 1145897
3-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-(4-phenylpiperazin-1-yl)methyl]-7-methoxy-1H-quinolin-2-one
CID 3183342
3-[(1-benzyltetrazol-5-yl)-(4-cyclohexylpiperazin-1-yl)methyl]-7-methoxy-1H-quinolin-2-one
CID 3183279
3-[(R)-(1-benzyltetrazol-5-yl)-(4-cyclohexylpiperazin-1-yl)methyl]-7-methoxy-1H-quinolin-2-one
CID 1159858
3-[(S)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-morpholin-4-ylmethyl]-6-methyl-1H-quinolin-2-one
CID 1157693
3-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-morpholin-4-ylmethyl]-8-methyl-1H-quinolin-2-one
CID 649406
3-[(S)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methyl]-7-methoxy-1H-quinolin-2-one
CID 1160024
3-[(4-ethylpiperazin-1-yl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-7-methoxy-1H-quinolin-2-one
CID 3183336
3-[(R)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-morpholin-4-ylmethyl]-6,7-dimethoxy-1H-quinolin-2-one
CID 1160811
3-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-piperidin-1-ylmethyl]-7-methyl-1H-quinolin-2-one
CID 3182662
3-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-(4-propylpiperazin-1-yl)methyl]-7-methoxy-1H-quinolin-2-one
CID 3183312

Frequently Asked Questions

What is the IUPAC name of 3-[(1-benzyltetrazol-5-yl)-morpholin-4-ylmethyl]-7-methoxy-1H-quinolin-2-one?
The IUPAC name of 3-[(1-benzyltetrazol-5-yl)-morpholin-4-ylmethyl]-7-methoxy-1H-quinolin-2-one (CID 3175526) is 3-[(1-benzyltetrazol-5-yl)-morpholin-4-ylmethyl]-7-methoxy-1H-quinolin-2-one.
What is the SMILES notation for 3-[(1-benzyltetrazol-5-yl)-morpholin-4-ylmethyl]-7-methoxy-1H-quinolin-2-one?
The canonical SMILES for 3-[(1-benzyltetrazol-5-yl)-morpholin-4-ylmethyl]-7-methoxy-1H-quinolin-2-one is COc1ccc2cc(C(c3nnnn3Cc3ccccc3)N3CCOCC3)c(=O)[nH]c2c1.
What is the InChIKey of 3-[(1-benzyltetrazol-5-yl)-morpholin-4-ylmethyl]-7-methoxy-1H-quinolin-2-one?
The InChIKey is DKXHJFUPSILEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O3/c1-31-18-8-7-17-13-19(23(30)24-20(17)14-18)21(28-9-11-32-12-10-28)22-25-26-27-29(22)15-16-5-3-2-4-6-16/h2-8,13-14,21H,9-12,15H2,1H3,(H,24,30).
What are the key properties of 3-[(1-benzyltetrazol-5-yl)-morpholin-4-ylmethyl]-7-methoxy-1H-quinolin-2-one?
3-[(1-benzyltetrazol-5-yl)-morpholin-4-ylmethyl]-7-methoxy-1H-quinolin-2-one has a molecular weight of 432.48 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-benzyltetrazol-5-yl)-morpholin-4-ylmethyl]-7-methoxy-1H-quinolin-2-one is sourced from PubChem (CID 3175526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).