7-chloro-6-methoxy-3-(1-methyltetrazol-5-yl)-1H-quinolin-4-one

C12H10ClN5O2 — CID 135802408

IUPAC7-chloro-6-methoxy-3-(1-methyltetrazol-5-yl)-1H-quinolin-4-one
SMILESCOc1cc2c(=O)c(-c3nnnn3C)c[nH]c2cc1Cl
InChIInChI=1S/C12H10ClN5O2/c1-18-12(15-16-17-18)7-5-14-9-4-8(13)10(20-2)3-6(9)11(7)19/h3-5H,1-2H3,(H,14,19)
InChIKeyKJBHLSLQUTZAMK-UHFFFAOYSA-N
MW291.70 g/mol
LogP1.38
Rot. Bonds2

About 7-chloro-6-methoxy-3-(1-methyltetrazol-5-yl)-1H-quinolin-4-one

7-chloro-6-methoxy-3-(1-methyltetrazol-5-yl)-1H-quinolin-4-one (PubChem CID 135802408) has the molecular formula C12H10ClN5O2 and a molecular weight of 291.70 g/mol. Its IUPAC name is 7-chloro-6-methoxy-3-(1-methyltetrazol-5-yl)-1H-quinolin-4-one.

Molecular Properties

Compound Name7-chloro-6-methoxy-3-(1-methyltetrazol-5-yl)-1H-quinolin-4-one
PubChem CID135802408
Molecular FormulaC12H10ClN5O2
Molecular Weight291.70 g/mol
Exact Mass291.05
IUPAC Name7-chloro-6-methoxy-3-(1-methyltetrazol-5-yl)-1H-quinolin-4-one
SMILESCOc1cc2c(=O)c(-c3nnnn3C)c[nH]c2cc1Cl
InChIInChI=1S/C12H10ClN5O2/c1-18-12(15-16-17-18)7-5-14-9-4-8(13)10(20-2)3-6(9)11(7)19/h3-5H,1-2H3,(H,14,19)
InChIKeyKJBHLSLQUTZAMK-UHFFFAOYSA-N
XLogP1.38
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.70
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-methoxy-3-(1-methyltetrazol-5-yl)-1H-quinolin-4-one
CID 135802407
3-chloro-7-iodo-6-methoxy-1H-quinolin-4-one
CID 118414190
3-[1-(4-methoxyphenyl)tetrazol-5-yl]-1H-quinolin-4-one
CID 3536587
ethyl 7-chloro-6-methoxy-4-sulfanylidene-1H-quinoline-3-carboxylate
CID 54772918
4-methoxy-3-(1-methyltetrazol-5-yl)aniline
CID 61352259
4-(6-chloro-5-methoxy-1H-indol-3-yl)butan-2-one
CID 82499388
2-(6-chloro-5-methoxy-1H-indol-3-yl)-3-methylbutan-1-amine
CID 82501743
1-methyl-5-[4-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]phenyl]tetrazole
CID 59430243
7-(dimethylamino)-1-methyl-3-(1-methyltetrazol-5-yl)quinolin-4-one
CID 13474436
6-chloro-5-methoxy-3-(piperazin-1-ylmethyl)-1H-indole
CID 98035174
5-(2-methoxy-3-propan-2-ylphenyl)-1-methyltetrazole
CID 126500100
7-bromo-1-methyl-3-(1-methyltetrazol-5-yl)quinolin-4-one
CID 13474410

Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-methoxy-3-(1-methyltetrazol-5-yl)-1H-quinolin-4-one?
The IUPAC name of 7-chloro-6-methoxy-3-(1-methyltetrazol-5-yl)-1H-quinolin-4-one (CID 135802408) is 7-chloro-6-methoxy-3-(1-methyltetrazol-5-yl)-1H-quinolin-4-one.
What is the SMILES notation for 7-chloro-6-methoxy-3-(1-methyltetrazol-5-yl)-1H-quinolin-4-one?
The canonical SMILES for 7-chloro-6-methoxy-3-(1-methyltetrazol-5-yl)-1H-quinolin-4-one is COc1cc2c(=O)c(-c3nnnn3C)c[nH]c2cc1Cl.
What is the InChIKey of 7-chloro-6-methoxy-3-(1-methyltetrazol-5-yl)-1H-quinolin-4-one?
The InChIKey is KJBHLSLQUTZAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN5O2/c1-18-12(15-16-17-18)7-5-14-9-4-8(13)10(20-2)3-6(9)11(7)19/h3-5H,1-2H3,(H,14,19).
What are the key properties of 7-chloro-6-methoxy-3-(1-methyltetrazol-5-yl)-1H-quinolin-4-one?
7-chloro-6-methoxy-3-(1-methyltetrazol-5-yl)-1H-quinolin-4-one has a molecular weight of 291.70 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-methoxy-3-(1-methyltetrazol-5-yl)-1H-quinolin-4-one is sourced from PubChem (CID 135802408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).