3-(8-methoxy-2-methylquinolin-5-yl)-1-methyl-6-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]-7,8-dihydro-5H-1,6-naphthyridin-2-one

C27H28N4O3S — CID 26227898

IUPAC3-(8-methoxy-2-methylquinolin-5-yl)-1-methyl-6-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCOc1ccc(-c2cc3c(n(C)c2=O)CCN(C(=O)CCc2scnc2C)C3)c2ccc(C)nc12
InChIInChI=1S/C27H28N4O3S/c1-16-5-6-20-19(7-8-23(34-4)26(20)29-16)21-13-18-14-31(12-11-22(18)30(3)27(21)33)25(32)10-9-24-17(2)28-15-35-24/h5-8,13,15H,9-12,14H2,1-4H3
InChIKeyDMHJHLJQSGSWCQ-UHFFFAOYSA-N
MW488.61 g/mol
LogP4.20
Rot. Bonds5

About 3-(8-methoxy-2-methylquinolin-5-yl)-1-methyl-6-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]-7,8-dihydro-5H-1,6-naphthyridin-2-one

3-(8-methoxy-2-methylquinolin-5-yl)-1-methyl-6-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]-7,8-dihydro-5H-1,6-naphthyridin-2-one (PubChem CID 26227898) has the molecular formula C27H28N4O3S and a molecular weight of 488.61 g/mol. Its IUPAC name is 3-(8-methoxy-2-methylquinolin-5-yl)-1-methyl-6-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]-7,8-dihydro-5H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name3-(8-methoxy-2-methylquinolin-5-yl)-1-methyl-6-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]-7,8-dihydro-5H-1,6-naphthyridin-2-one
PubChem CID26227898
Molecular FormulaC27H28N4O3S
Molecular Weight488.61 g/mol
Exact Mass488.19
IUPAC Name3-(8-methoxy-2-methylquinolin-5-yl)-1-methyl-6-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCOc1ccc(-c2cc3c(n(C)c2=O)CCN(C(=O)CCc2scnc2C)C3)c2ccc(C)nc12
InChIInChI=1S/C27H28N4O3S/c1-16-5-6-20-19(7-8-23(34-4)26(20)29-16)21-13-18-14-31(12-11-22(18)30(3)27(21)33)25(32)10-9-24-17(2)28-15-35-24/h5-8,13,15H,9-12,14H2,1-4H3
InChIKeyDMHJHLJQSGSWCQ-UHFFFAOYSA-N
XLogP4.20
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.61
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(8-methoxy-2-methylquinolin-5-yl)-1-methyl-6-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The IUPAC name of 3-(8-methoxy-2-methylquinolin-5-yl)-1-methyl-6-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]-7,8-dihydro-5H-1,6-naphthyridin-2-one (CID 26227898) is 3-(8-methoxy-2-methylquinolin-5-yl)-1-methyl-6-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]-7,8-dihydro-5H-1,6-naphthyridin-2-one.
What is the SMILES notation for 3-(8-methoxy-2-methylquinolin-5-yl)-1-methyl-6-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The canonical SMILES for 3-(8-methoxy-2-methylquinolin-5-yl)-1-methyl-6-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]-7,8-dihydro-5H-1,6-naphthyridin-2-one is COc1ccc(-c2cc3c(n(C)c2=O)CCN(C(=O)CCc2scnc2C)C3)c2ccc(C)nc12.
What is the InChIKey of 3-(8-methoxy-2-methylquinolin-5-yl)-1-methyl-6-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The InChIKey is DMHJHLJQSGSWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O3S/c1-16-5-6-20-19(7-8-23(34-4)26(20)29-16)21-13-18-14-31(12-11-22(18)30(3)27(21)33)25(32)10-9-24-17(2)28-15-35-24/h5-8,13,15H,9-12,14H2,1-4H3.
What are the key properties of 3-(8-methoxy-2-methylquinolin-5-yl)-1-methyl-6-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]-7,8-dihydro-5H-1,6-naphthyridin-2-one?
3-(8-methoxy-2-methylquinolin-5-yl)-1-methyl-6-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]-7,8-dihydro-5H-1,6-naphthyridin-2-one has a molecular weight of 488.61 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-methoxy-2-methylquinolin-5-yl)-1-methyl-6-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]-7,8-dihydro-5H-1,6-naphthyridin-2-one is sourced from PubChem (CID 26227898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).