6-chloro-7-methoxy-2-methyl-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-quinolin-4-one

C21H23ClN4O2 — CID 118724922

IUPAC6-chloro-7-methoxy-2-methyl-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-quinolin-4-one
SMILESCOc1cc2[nH]c(C)c(-c3ccc(N4CCN(C)CC4)nc3)c(=O)c2cc1Cl
InChIInChI=1S/C21H23ClN4O2/c1-13-20(21(27)15-10-16(22)18(28-3)11-17(15)24-13)14-4-5-19(23-12-14)26-8-6-25(2)7-9-26/h4-5,10-12H,6-9H2,1-3H3,(H,24,27)
InChIKeyUYWOYWKUCHLTIP-UHFFFAOYSA-N
MW398.89 g/mol
LogP3.31
Rot. Bonds3

About 6-chloro-7-methoxy-2-methyl-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-quinolin-4-one

6-chloro-7-methoxy-2-methyl-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-quinolin-4-one (PubChem CID 118724922) has the molecular formula C21H23ClN4O2 and a molecular weight of 398.89 g/mol. Its IUPAC name is 6-chloro-7-methoxy-2-methyl-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name6-chloro-7-methoxy-2-methyl-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-quinolin-4-one
PubChem CID118724922
Molecular FormulaC21H23ClN4O2
Molecular Weight398.89 g/mol
Exact Mass398.15
IUPAC Name6-chloro-7-methoxy-2-methyl-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-quinolin-4-one
SMILESCOc1cc2[nH]c(C)c(-c3ccc(N4CCN(C)CC4)nc3)c(=O)c2cc1Cl
InChIInChI=1S/C21H23ClN4O2/c1-13-20(21(27)15-10-16(22)18(28-3)11-17(15)24-13)14-4-5-19(23-12-14)26-8-6-25(2)7-9-26/h4-5,10-12H,6-9H2,1-3H3,(H,24,27)
InChIKeyUYWOYWKUCHLTIP-UHFFFAOYSA-N
XLogP3.31
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-methoxy-2-methyl-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-quinolin-4-one?
The IUPAC name of 6-chloro-7-methoxy-2-methyl-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-quinolin-4-one (CID 118724922) is 6-chloro-7-methoxy-2-methyl-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-quinolin-4-one.
What is the SMILES notation for 6-chloro-7-methoxy-2-methyl-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-quinolin-4-one?
The canonical SMILES for 6-chloro-7-methoxy-2-methyl-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-quinolin-4-one is COc1cc2[nH]c(C)c(-c3ccc(N4CCN(C)CC4)nc3)c(=O)c2cc1Cl.
What is the InChIKey of 6-chloro-7-methoxy-2-methyl-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-quinolin-4-one?
The InChIKey is UYWOYWKUCHLTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O2/c1-13-20(21(27)15-10-16(22)18(28-3)11-17(15)24-13)14-4-5-19(23-12-14)26-8-6-25(2)7-9-26/h4-5,10-12H,6-9H2,1-3H3,(H,24,27).
What are the key properties of 6-chloro-7-methoxy-2-methyl-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-quinolin-4-one?
6-chloro-7-methoxy-2-methyl-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-quinolin-4-one has a molecular weight of 398.89 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-methoxy-2-methyl-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-quinolin-4-one is sourced from PubChem (CID 118724922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).