4-(3-chlorophenyl)-1-ethyl-3-(3-imidazol-1-ylpropyl)-7-methyl-1,8-naphthyridin-2-one;hydrochloride

C23H24Cl2N4O — CID 22716684

IUPAC4-(3-chlorophenyl)-1-ethyl-3-(3-imidazol-1-ylpropyl)-7-methyl-1,8-naphthyridin-2-one;hydrochloride
SMILESCCn1c(=O)c(CCCn2ccnc2)c(-c2cccc(Cl)c2)c2ccc(C)nc21.Cl
InChIInChI=1S/C23H23ClN4O.ClH/c1-3-28-22-19(10-9-16(2)26-22)21(17-6-4-7-18(24)14-17)20(23(28)29)8-5-12-27-13-11-25-15-27;/h4,6-7,9-11,13-15H,3,5,8,12H2,1-2H3;1H
InChIKeyQOSITCOQSITSPR-UHFFFAOYSA-N
MW443.38 g/mol
LogP5.30
Rot. Bonds6

About 4-(3-chlorophenyl)-1-ethyl-3-(3-imidazol-1-ylpropyl)-7-methyl-1,8-naphthyridin-2-one;hydrochloride

4-(3-chlorophenyl)-1-ethyl-3-(3-imidazol-1-ylpropyl)-7-methyl-1,8-naphthyridin-2-one;hydrochloride (PubChem CID 22716684) has the molecular formula C23H24Cl2N4O and a molecular weight of 443.38 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-1-ethyl-3-(3-imidazol-1-ylpropyl)-7-methyl-1,8-naphthyridin-2-one;hydrochloride.

Molecular Properties

Compound Name4-(3-chlorophenyl)-1-ethyl-3-(3-imidazol-1-ylpropyl)-7-methyl-1,8-naphthyridin-2-one;hydrochloride
PubChem CID22716684
Molecular FormulaC23H24Cl2N4O
Molecular Weight443.38 g/mol
Exact Mass442.13
IUPAC Name4-(3-chlorophenyl)-1-ethyl-3-(3-imidazol-1-ylpropyl)-7-methyl-1,8-naphthyridin-2-one;hydrochloride
SMILESCCn1c(=O)c(CCCn2ccnc2)c(-c2cccc(Cl)c2)c2ccc(C)nc21.Cl
InChIInChI=1S/C23H23ClN4O.ClH/c1-3-28-22-19(10-9-16(2)26-22)21(17-6-4-7-18(24)14-17)20(23(28)29)8-5-12-27-13-11-25-15-27;/h4,6-7,9-11,13-15H,3,5,8,12H2,1-2H3;1H
InChIKeyQOSITCOQSITSPR-UHFFFAOYSA-N
XLogP5.30
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.38
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-1-ethyl-3-(3-imidazol-1-ylpropyl)-7-methyl-1,8-naphthyridin-2-one;hydrochloride?
The IUPAC name of 4-(3-chlorophenyl)-1-ethyl-3-(3-imidazol-1-ylpropyl)-7-methyl-1,8-naphthyridin-2-one;hydrochloride (CID 22716684) is 4-(3-chlorophenyl)-1-ethyl-3-(3-imidazol-1-ylpropyl)-7-methyl-1,8-naphthyridin-2-one;hydrochloride.
What is the SMILES notation for 4-(3-chlorophenyl)-1-ethyl-3-(3-imidazol-1-ylpropyl)-7-methyl-1,8-naphthyridin-2-one;hydrochloride?
The canonical SMILES for 4-(3-chlorophenyl)-1-ethyl-3-(3-imidazol-1-ylpropyl)-7-methyl-1,8-naphthyridin-2-one;hydrochloride is CCn1c(=O)c(CCCn2ccnc2)c(-c2cccc(Cl)c2)c2ccc(C)nc21.Cl.
What is the InChIKey of 4-(3-chlorophenyl)-1-ethyl-3-(3-imidazol-1-ylpropyl)-7-methyl-1,8-naphthyridin-2-one;hydrochloride?
The InChIKey is QOSITCOQSITSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O.ClH/c1-3-28-22-19(10-9-16(2)26-22)21(17-6-4-7-18(24)14-17)20(23(28)29)8-5-12-27-13-11-25-15-27;/h4,6-7,9-11,13-15H,3,5,8,12H2,1-2H3;1H.
What are the key properties of 4-(3-chlorophenyl)-1-ethyl-3-(3-imidazol-1-ylpropyl)-7-methyl-1,8-naphthyridin-2-one;hydrochloride?
4-(3-chlorophenyl)-1-ethyl-3-(3-imidazol-1-ylpropyl)-7-methyl-1,8-naphthyridin-2-one;hydrochloride has a molecular weight of 443.38 g/mol, XLogP of 5.30, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-1-ethyl-3-(3-imidazol-1-ylpropyl)-7-methyl-1,8-naphthyridin-2-one;hydrochloride is sourced from PubChem (CID 22716684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).