6-methoxy-3-[[[1-(2-methoxyethyl)tetrazol-5-yl]methyl-(pyridin-3-ylmethyl)amino]methyl]-1H-quinolin-2-one

C22H25N7O3 — CID 651005

IUPAC6-methoxy-3-[[[1-(2-methoxyethyl)tetrazol-5-yl]methyl-(pyridin-3-ylmethyl)amino]methyl]-1H-quinolin-2-one
SMILESCOCCn1nnnc1CN(Cc1cccnc1)Cc1cc2cc(OC)ccc2[nH]c1=O
InChIInChI=1S/C22H25N7O3/c1-31-9-8-29-21(25-26-27-29)15-28(13-16-4-3-7-23-12-16)14-18-10-17-11-19(32-2)5-6-20(17)24-22(18)30/h3-7,10-12H,8-9,13-15H2,1-2H3,(H,24,30)
InChIKeyHNWJYCYYJRDPDS-UHFFFAOYSA-N
MW435.49 g/mol
LogP1.77
Rot. Bonds10

About 6-methoxy-3-[[[1-(2-methoxyethyl)tetrazol-5-yl]methyl-(pyridin-3-ylmethyl)amino]methyl]-1H-quinolin-2-one

6-methoxy-3-[[[1-(2-methoxyethyl)tetrazol-5-yl]methyl-(pyridin-3-ylmethyl)amino]methyl]-1H-quinolin-2-one (PubChem CID 651005) has the molecular formula C22H25N7O3 and a molecular weight of 435.49 g/mol. Its IUPAC name is 6-methoxy-3-[[[1-(2-methoxyethyl)tetrazol-5-yl]methyl-(pyridin-3-ylmethyl)amino]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-methoxy-3-[[[1-(2-methoxyethyl)tetrazol-5-yl]methyl-(pyridin-3-ylmethyl)amino]methyl]-1H-quinolin-2-one
PubChem CID651005
Molecular FormulaC22H25N7O3
Molecular Weight435.49 g/mol
Exact Mass435.20
IUPAC Name6-methoxy-3-[[[1-(2-methoxyethyl)tetrazol-5-yl]methyl-(pyridin-3-ylmethyl)amino]methyl]-1H-quinolin-2-one
SMILESCOCCn1nnnc1CN(Cc1cccnc1)Cc1cc2cc(OC)ccc2[nH]c1=O
InChIInChI=1S/C22H25N7O3/c1-31-9-8-29-21(25-26-27-29)15-28(13-16-4-3-7-23-12-16)14-18-10-17-11-19(32-2)5-6-20(17)24-22(18)30/h3-7,10-12H,8-9,13-15H2,1-2H3,(H,24,30)
InChIKeyHNWJYCYYJRDPDS-UHFFFAOYSA-N
XLogP1.77
TPSA111.05 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.49
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-[[[1-(2-methoxyethyl)tetrazol-5-yl]methyl-(pyridin-3-ylmethyl)amino]methyl]-1H-quinolin-2-one?
The IUPAC name of 6-methoxy-3-[[[1-(2-methoxyethyl)tetrazol-5-yl]methyl-(pyridin-3-ylmethyl)amino]methyl]-1H-quinolin-2-one (CID 651005) is 6-methoxy-3-[[[1-(2-methoxyethyl)tetrazol-5-yl]methyl-(pyridin-3-ylmethyl)amino]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 6-methoxy-3-[[[1-(2-methoxyethyl)tetrazol-5-yl]methyl-(pyridin-3-ylmethyl)amino]methyl]-1H-quinolin-2-one?
The canonical SMILES for 6-methoxy-3-[[[1-(2-methoxyethyl)tetrazol-5-yl]methyl-(pyridin-3-ylmethyl)amino]methyl]-1H-quinolin-2-one is COCCn1nnnc1CN(Cc1cccnc1)Cc1cc2cc(OC)ccc2[nH]c1=O.
What is the InChIKey of 6-methoxy-3-[[[1-(2-methoxyethyl)tetrazol-5-yl]methyl-(pyridin-3-ylmethyl)amino]methyl]-1H-quinolin-2-one?
The InChIKey is HNWJYCYYJRDPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O3/c1-31-9-8-29-21(25-26-27-29)15-28(13-16-4-3-7-23-12-16)14-18-10-17-11-19(32-2)5-6-20(17)24-22(18)30/h3-7,10-12H,8-9,13-15H2,1-2H3,(H,24,30).
What are the key properties of 6-methoxy-3-[[[1-(2-methoxyethyl)tetrazol-5-yl]methyl-(pyridin-3-ylmethyl)amino]methyl]-1H-quinolin-2-one?
6-methoxy-3-[[[1-(2-methoxyethyl)tetrazol-5-yl]methyl-(pyridin-3-ylmethyl)amino]methyl]-1H-quinolin-2-one has a molecular weight of 435.49 g/mol, XLogP of 1.77, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-[[[1-(2-methoxyethyl)tetrazol-5-yl]methyl-(pyridin-3-ylmethyl)amino]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 651005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).