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

C24H26N6O3 — CID 649411

IUPAC3-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-morpholin-4-ylmethyl]-6-methyl-1H-quinolin-2-one
SMILESCOc1ccc(Cn2nnnc2C(c2cc3cc(C)ccc3[nH]c2=O)N2CCOCC2)cc1
InChIInChI=1S/C24H26N6O3/c1-16-3-8-21-18(13-16)14-20(24(31)25-21)22(29-9-11-33-12-10-29)23-26-27-28-30(23)15-17-4-6-19(32-2)7-5-17/h3-8,13-14,22H,9-12,15H2,1-2H3,(H,25,31)
InChIKeyZKNPXNHKYXWLBF-UHFFFAOYSA-N
MW446.51 g/mol
LogP2.30
Rot. Bonds6

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

3-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-morpholin-4-ylmethyl]-6-methyl-1H-quinolin-2-one (PubChem CID 649411) has the molecular formula C24H26N6O3 and a molecular weight of 446.51 g/mol. Its IUPAC name is 3-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-morpholin-4-ylmethyl]-6-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-morpholin-4-ylmethyl]-6-methyl-1H-quinolin-2-one
PubChem CID649411
Molecular FormulaC24H26N6O3
Molecular Weight446.51 g/mol
Exact Mass446.21
IUPAC Name3-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-morpholin-4-ylmethyl]-6-methyl-1H-quinolin-2-one
SMILESCOc1ccc(Cn2nnnc2C(c2cc3cc(C)ccc3[nH]c2=O)N2CCOCC2)cc1
InChIInChI=1S/C24H26N6O3/c1-16-3-8-21-18(13-16)14-20(24(31)25-21)22(29-9-11-33-12-10-29)23-26-27-28-30(23)15-17-4-6-19(32-2)7-5-17/h3-8,13-14,22H,9-12,15H2,1-2H3,(H,25,31)
InChIKeyZKNPXNHKYXWLBF-UHFFFAOYSA-N
XLogP2.30
TPSA98.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-morpholin-4-ylmethyl]-6-methyl-1H-quinolin-2-one?
The IUPAC name of 3-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-morpholin-4-ylmethyl]-6-methyl-1H-quinolin-2-one (CID 649411) is 3-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-morpholin-4-ylmethyl]-6-methyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-morpholin-4-ylmethyl]-6-methyl-1H-quinolin-2-one?
The canonical SMILES for 3-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-morpholin-4-ylmethyl]-6-methyl-1H-quinolin-2-one is COc1ccc(Cn2nnnc2C(c2cc3cc(C)ccc3[nH]c2=O)N2CCOCC2)cc1.
What is the InChIKey of 3-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-morpholin-4-ylmethyl]-6-methyl-1H-quinolin-2-one?
The InChIKey is ZKNPXNHKYXWLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O3/c1-16-3-8-21-18(13-16)14-20(24(31)25-21)22(29-9-11-33-12-10-29)23-26-27-28-30(23)15-17-4-6-19(32-2)7-5-17/h3-8,13-14,22H,9-12,15H2,1-2H3,(H,25,31).
What are the key properties of 3-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-morpholin-4-ylmethyl]-6-methyl-1H-quinolin-2-one?
3-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-morpholin-4-ylmethyl]-6-methyl-1H-quinolin-2-one has a molecular weight of 446.51 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-morpholin-4-ylmethyl]-6-methyl-1H-quinolin-2-one is sourced from PubChem (CID 649411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).