7-methoxy-3-(4-methoxyphenyl)-1-[2-(2H-tetrazol-5-yl)ethyl]quinolin-4-one

C20H19N5O3 — CID 18771343

IUPAC7-methoxy-3-(4-methoxyphenyl)-1-[2-(2H-tetrazol-5-yl)ethyl]quinolin-4-one
SMILESCOc1ccc(-c2cn(CCc3nn[nH]n3)c3cc(OC)ccc3c2=O)cc1
InChIInChI=1S/C20H19N5O3/c1-27-14-5-3-13(4-6-14)17-12-25(10-9-19-21-23-24-22-19)18-11-15(28-2)7-8-16(18)20(17)26/h3-8,11-12H,9-10H2,1-2H3,(H,21,22,23,24)
InChIKeyDNZYUNFMXARQHF-UHFFFAOYSA-N
MW377.40 g/mol
LogP2.44
Rot. Bonds6

About 7-methoxy-3-(4-methoxyphenyl)-1-[2-(2H-tetrazol-5-yl)ethyl]quinolin-4-one

7-methoxy-3-(4-methoxyphenyl)-1-[2-(2H-tetrazol-5-yl)ethyl]quinolin-4-one (PubChem CID 18771343) has the molecular formula C20H19N5O3 and a molecular weight of 377.40 g/mol. Its IUPAC name is 7-methoxy-3-(4-methoxyphenyl)-1-[2-(2H-tetrazol-5-yl)ethyl]quinolin-4-one.

Molecular Properties

Compound Name7-methoxy-3-(4-methoxyphenyl)-1-[2-(2H-tetrazol-5-yl)ethyl]quinolin-4-one
PubChem CID18771343
Molecular FormulaC20H19N5O3
Molecular Weight377.40 g/mol
Exact Mass377.15
IUPAC Name7-methoxy-3-(4-methoxyphenyl)-1-[2-(2H-tetrazol-5-yl)ethyl]quinolin-4-one
SMILESCOc1ccc(-c2cn(CCc3nn[nH]n3)c3cc(OC)ccc3c2=O)cc1
InChIInChI=1S/C20H19N5O3/c1-27-14-5-3-13(4-6-14)17-12-25(10-9-19-21-23-24-22-19)18-11-15(28-2)7-8-16(18)20(17)26/h3-8,11-12H,9-10H2,1-2H3,(H,21,22,23,24)
InChIKeyDNZYUNFMXARQHF-UHFFFAOYSA-N
XLogP2.44
TPSA94.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-[7-methoxy-3-(4-methoxyphenyl)-4-oxoquinolin-1-yl]acetate
CID 18771368
5-[4-(4-methoxyphenyl)butyl]-2H-tetrazole
CID 23614553
6-bromo-3-(4-methoxyphenyl)-1-methylquinolin-4-one
CID 166442294
7-methoxy-3-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylamino]-1-methylquinolin-4-one
CID 18771355
2-(6-methoxy-3-methylindol-1-yl)ethanamine
CID 82491960
2-[3-(2-aminoethyl)-6-methoxyindol-1-yl]ethanol
CID 83945184
4-(4-methoxyphenyl)-1-methyl-5-[1-[2-(2H-tetrazol-5-yl)phenyl]pyrazol-4-yl]pyridin-2-one
CID 135355125
7-methoxy-3-(4-methoxyphenyl)chromen-4-one
CID 46702269
5-ethenyl-7-methoxy-3-(4-methoxyphenyl)-1-methylquinolin-4-one
CID 18771399
2-[1-(2-aminoethyl)-6-methoxyindol-3-yl]acetic acid
CID 83945216
6-methoxy-4-methyl-3-oxo-N-(2H-tetrazol-5-yl)quinoxaline-2-carboxamide
CID 21491304
5-benzyl-7-methoxy-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline
CID 53245544

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-(4-methoxyphenyl)-1-[2-(2H-tetrazol-5-yl)ethyl]quinolin-4-one?
The IUPAC name of 7-methoxy-3-(4-methoxyphenyl)-1-[2-(2H-tetrazol-5-yl)ethyl]quinolin-4-one (CID 18771343) is 7-methoxy-3-(4-methoxyphenyl)-1-[2-(2H-tetrazol-5-yl)ethyl]quinolin-4-one.
What is the SMILES notation for 7-methoxy-3-(4-methoxyphenyl)-1-[2-(2H-tetrazol-5-yl)ethyl]quinolin-4-one?
The canonical SMILES for 7-methoxy-3-(4-methoxyphenyl)-1-[2-(2H-tetrazol-5-yl)ethyl]quinolin-4-one is COc1ccc(-c2cn(CCc3nn[nH]n3)c3cc(OC)ccc3c2=O)cc1.
What is the InChIKey of 7-methoxy-3-(4-methoxyphenyl)-1-[2-(2H-tetrazol-5-yl)ethyl]quinolin-4-one?
The InChIKey is DNZYUNFMXARQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3/c1-27-14-5-3-13(4-6-14)17-12-25(10-9-19-21-23-24-22-19)18-11-15(28-2)7-8-16(18)20(17)26/h3-8,11-12H,9-10H2,1-2H3,(H,21,22,23,24).
What are the key properties of 7-methoxy-3-(4-methoxyphenyl)-1-[2-(2H-tetrazol-5-yl)ethyl]quinolin-4-one?
7-methoxy-3-(4-methoxyphenyl)-1-[2-(2H-tetrazol-5-yl)ethyl]quinolin-4-one has a molecular weight of 377.40 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-(4-methoxyphenyl)-1-[2-(2H-tetrazol-5-yl)ethyl]quinolin-4-one is sourced from PubChem (CID 18771343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).