5-[(7-methoxyquinolin-4-yl)methoxy]-3-(3-morpholin-4-ylpropyl)-1H-imidazo[4,5-h][1,6]naphthyridin-2-one

C27H28N6O4 — CID 118724100

IUPAC5-[(7-methoxyquinolin-4-yl)methoxy]-3-(3-morpholin-4-ylpropyl)-1H-imidazo[4,5-h][1,6]naphthyridin-2-one
SMILESCOc1ccc2c(COc3nc4c([nH]c(=O)n4CCCN4CCOCC4)c4ncccc34)ccnc2c1
InChIInChI=1S/C27H28N6O4/c1-35-19-5-6-20-18(7-9-28-22(20)16-19)17-37-26-21-4-2-8-29-23(21)24-25(31-26)33(27(34)30-24)11-3-10-32-12-14-36-15-13-32/h2,4-9,16H,3,10-15,17H2,1H3,(H,30,34)
InChIKeyNOIDGZWTBMFJOE-UHFFFAOYSA-N
MW500.56 g/mol
LogP3.13
Rot. Bonds8

About 5-[(7-methoxyquinolin-4-yl)methoxy]-3-(3-morpholin-4-ylpropyl)-1H-imidazo[4,5-h][1,6]naphthyridin-2-one

5-[(7-methoxyquinolin-4-yl)methoxy]-3-(3-morpholin-4-ylpropyl)-1H-imidazo[4,5-h][1,6]naphthyridin-2-one (PubChem CID 118724100) has the molecular formula C27H28N6O4 and a molecular weight of 500.56 g/mol. Its IUPAC name is 5-[(7-methoxyquinolin-4-yl)methoxy]-3-(3-morpholin-4-ylpropyl)-1H-imidazo[4,5-h][1,6]naphthyridin-2-one.

Molecular Properties

Compound Name5-[(7-methoxyquinolin-4-yl)methoxy]-3-(3-morpholin-4-ylpropyl)-1H-imidazo[4,5-h][1,6]naphthyridin-2-one
PubChem CID118724100
Molecular FormulaC27H28N6O4
Molecular Weight500.56 g/mol
Exact Mass500.22
IUPAC Name5-[(7-methoxyquinolin-4-yl)methoxy]-3-(3-morpholin-4-ylpropyl)-1H-imidazo[4,5-h][1,6]naphthyridin-2-one
SMILESCOc1ccc2c(COc3nc4c([nH]c(=O)n4CCCN4CCOCC4)c4ncccc34)ccnc2c1
InChIInChI=1S/C27H28N6O4/c1-35-19-5-6-20-18(7-9-28-22(20)16-19)17-37-26-21-4-2-8-29-23(21)24-25(31-26)33(27(34)30-24)11-3-10-32-12-14-36-15-13-32/h2,4-9,16H,3,10-15,17H2,1H3,(H,30,34)
InChIKeyNOIDGZWTBMFJOE-UHFFFAOYSA-N
XLogP3.13
TPSA107.39 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.56
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[(7-methoxyquinolin-4-yl)methoxy]-3-(3-morpholin-4-ylpropyl)-1H-imidazo[4,5-h][1,6]naphthyridin-2-one?
The IUPAC name of 5-[(7-methoxyquinolin-4-yl)methoxy]-3-(3-morpholin-4-ylpropyl)-1H-imidazo[4,5-h][1,6]naphthyridin-2-one (CID 118724100) is 5-[(7-methoxyquinolin-4-yl)methoxy]-3-(3-morpholin-4-ylpropyl)-1H-imidazo[4,5-h][1,6]naphthyridin-2-one.
What is the SMILES notation for 5-[(7-methoxyquinolin-4-yl)methoxy]-3-(3-morpholin-4-ylpropyl)-1H-imidazo[4,5-h][1,6]naphthyridin-2-one?
The canonical SMILES for 5-[(7-methoxyquinolin-4-yl)methoxy]-3-(3-morpholin-4-ylpropyl)-1H-imidazo[4,5-h][1,6]naphthyridin-2-one is COc1ccc2c(COc3nc4c([nH]c(=O)n4CCCN4CCOCC4)c4ncccc34)ccnc2c1.
What is the InChIKey of 5-[(7-methoxyquinolin-4-yl)methoxy]-3-(3-morpholin-4-ylpropyl)-1H-imidazo[4,5-h][1,6]naphthyridin-2-one?
The InChIKey is NOIDGZWTBMFJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O4/c1-35-19-5-6-20-18(7-9-28-22(20)16-19)17-37-26-21-4-2-8-29-23(21)24-25(31-26)33(27(34)30-24)11-3-10-32-12-14-36-15-13-32/h2,4-9,16H,3,10-15,17H2,1H3,(H,30,34).
What are the key properties of 5-[(7-methoxyquinolin-4-yl)methoxy]-3-(3-morpholin-4-ylpropyl)-1H-imidazo[4,5-h][1,6]naphthyridin-2-one?
5-[(7-methoxyquinolin-4-yl)methoxy]-3-(3-morpholin-4-ylpropyl)-1H-imidazo[4,5-h][1,6]naphthyridin-2-one has a molecular weight of 500.56 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(7-methoxyquinolin-4-yl)methoxy]-3-(3-morpholin-4-ylpropyl)-1H-imidazo[4,5-h][1,6]naphthyridin-2-one is sourced from PubChem (CID 118724100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).