2-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)isoquinolin-1-one

C21H20N2O4 — CID 14891733

IUPAC2-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)isoquinolin-1-one
SMILESCOc1ccc(-n2cc(C(=O)N3CCOCC3)c3ccccc3c2=O)cc1
InChIInChI=1S/C21H20N2O4/c1-26-16-8-6-15(7-9-16)23-14-19(20(24)22-10-12-27-13-11-22)17-4-2-3-5-18(17)21(23)25/h2-9,14H,10-13H2,1H3
InChIKeySRJZGIUUARCPKJ-UHFFFAOYSA-N
MW364.40 g/mol
LogP2.47
Rot. Bonds3

About 2-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)isoquinolin-1-one

2-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)isoquinolin-1-one (PubChem CID 14891733) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)isoquinolin-1-one.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)isoquinolin-1-one
PubChem CID14891733
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC Name2-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)isoquinolin-1-one
SMILESCOc1ccc(-n2cc(C(=O)N3CCOCC3)c3ccccc3c2=O)cc1
InChIInChI=1S/C21H20N2O4/c1-26-16-8-6-15(7-9-16)23-14-19(20(24)22-10-12-27-13-11-22)17-4-2-3-5-18(17)21(23)25/h2-9,14H,10-13H2,1H3
InChIKeySRJZGIUUARCPKJ-UHFFFAOYSA-N
XLogP2.47
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-ethylpiperazine-1-carbonyl)-2-(4-methoxyphenyl)isoquinolin-1-one
CID 22549537
2-(4-chlorophenyl)-4-(4-methylpiperidine-1-carbonyl)isoquinolin-1-one
CID 4142158
N-butan-2-yl-2-(4-methoxyphenyl)-1-oxoisoquinoline-4-carboxamide
CID 4653931
2-(3-methoxyphenyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)isoquinolin-1-one
CID 22549757
2-ethoxyethyl 2-(4-methoxyphenyl)-1-oxoisoquinoline-4-carboxylate
CID 53092714
2-(3,5-dimethoxyphenyl)-4-(morpholine-4-carbonyl)phthalazin-1-one
CID 4249553
2-(3-methoxyphenyl)-1-oxoisoquinoline-4-carboxylic acid
CID 3242980
[2-(2,5-dimethoxyphenyl)quinolin-4-yl]-morpholin-4-ylmethanone
CID 35330401
pyridin-2-ylmethyl 2-(4-methoxyphenyl)-1-oxoisoquinoline-4-carboxylate
CID 46391480
N-ethyl-2-(4-methoxyphenyl)-N-(2-methylphenyl)-1-oxoisoquinoline-4-carboxamide
CID 22549573
2-(4-ethoxyphenyl)-6,7-dimethoxy-4-(pyrrolidine-1-carbonyl)isoquinolin-1-one
CID 4695030
2-(4-hydroxyphenyl)-4-(4-methoxyphenyl)isoquinolin-1-one
CID 144586778

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)isoquinolin-1-one?
The IUPAC name of 2-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)isoquinolin-1-one (CID 14891733) is 2-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)isoquinolin-1-one.
What is the SMILES notation for 2-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)isoquinolin-1-one?
The canonical SMILES for 2-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)isoquinolin-1-one is COc1ccc(-n2cc(C(=O)N3CCOCC3)c3ccccc3c2=O)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)isoquinolin-1-one?
The InChIKey is SRJZGIUUARCPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-26-16-8-6-15(7-9-16)23-14-19(20(24)22-10-12-27-13-11-22)17-4-2-3-5-18(17)21(23)25/h2-9,14H,10-13H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)isoquinolin-1-one?
2-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)isoquinolin-1-one has a molecular weight of 364.40 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)isoquinolin-1-one is sourced from PubChem (CID 14891733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).