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

C28H35N7O4 — CID 1171663

IUPAC6-methoxy-3-[[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl-(3-morpholin-4-ylpropyl)amino]methyl]-1H-quinolin-2-one
SMILESCOc1ccc(Cn2nnnc2CN(CCCN2CCOCC2)Cc2cc3cc(OC)ccc3[nH]c2=O)cc1
InChIInChI=1S/C28H35N7O4/c1-37-24-6-4-21(5-7-24)18-35-27(30-31-32-35)20-34(11-3-10-33-12-14-39-15-13-33)19-23-16-22-17-25(38-2)8-9-26(22)29-28(23)36/h4-9,16-17H,3,10-15,18-20H2,1-2H3,(H,29,36)
InChIKeyYZVGBGFYZVCEFF-UHFFFAOYSA-N
MW533.63 g/mol
LogP2.30
Rot. Bonds12

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

6-methoxy-3-[[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl-(3-morpholin-4-ylpropyl)amino]methyl]-1H-quinolin-2-one (PubChem CID 1171663) has the molecular formula C28H35N7O4 and a molecular weight of 533.63 g/mol. Its IUPAC name is 6-methoxy-3-[[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl-(3-morpholin-4-ylpropyl)amino]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-methoxy-3-[[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl-(3-morpholin-4-ylpropyl)amino]methyl]-1H-quinolin-2-one
PubChem CID1171663
Molecular FormulaC28H35N7O4
Molecular Weight533.63 g/mol
Exact Mass533.28
IUPAC Name6-methoxy-3-[[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl-(3-morpholin-4-ylpropyl)amino]methyl]-1H-quinolin-2-one
SMILESCOc1ccc(Cn2nnnc2CN(CCCN2CCOCC2)Cc2cc3cc(OC)ccc3[nH]c2=O)cc1
InChIInChI=1S/C28H35N7O4/c1-37-24-6-4-21(5-7-24)18-35-27(30-31-32-35)20-34(11-3-10-33-12-14-39-15-13-33)19-23-16-22-17-25(38-2)8-9-26(22)29-28(23)36/h4-9,16-17H,3,10-15,18-20H2,1-2H3,(H,29,36)
InChIKeyYZVGBGFYZVCEFF-UHFFFAOYSA-N
XLogP2.30
TPSA110.63 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.63
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-[[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl-(3-morpholin-4-ylpropyl)amino]methyl]-1H-quinolin-2-one?
The IUPAC name of 6-methoxy-3-[[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl-(3-morpholin-4-ylpropyl)amino]methyl]-1H-quinolin-2-one (CID 1171663) is 6-methoxy-3-[[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl-(3-morpholin-4-ylpropyl)amino]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 6-methoxy-3-[[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl-(3-morpholin-4-ylpropyl)amino]methyl]-1H-quinolin-2-one?
The canonical SMILES for 6-methoxy-3-[[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl-(3-morpholin-4-ylpropyl)amino]methyl]-1H-quinolin-2-one is COc1ccc(Cn2nnnc2CN(CCCN2CCOCC2)Cc2cc3cc(OC)ccc3[nH]c2=O)cc1.
What is the InChIKey of 6-methoxy-3-[[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl-(3-morpholin-4-ylpropyl)amino]methyl]-1H-quinolin-2-one?
The InChIKey is YZVGBGFYZVCEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N7O4/c1-37-24-6-4-21(5-7-24)18-35-27(30-31-32-35)20-34(11-3-10-33-12-14-39-15-13-33)19-23-16-22-17-25(38-2)8-9-26(22)29-28(23)36/h4-9,16-17H,3,10-15,18-20H2,1-2H3,(H,29,36).
What are the key properties of 6-methoxy-3-[[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl-(3-morpholin-4-ylpropyl)amino]methyl]-1H-quinolin-2-one?
6-methoxy-3-[[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl-(3-morpholin-4-ylpropyl)amino]methyl]-1H-quinolin-2-one has a molecular weight of 533.63 g/mol, XLogP of 2.30, 12 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-[[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl-(3-morpholin-4-ylpropyl)amino]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 1171663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).