6-[2-methoxy-6-(morpholine-4-carbonyl)quinolin-4-yl]-3,4-dihydro-2H-isoquinolin-1-one

C24H23N3O4 — CID 177077561

IUPAC6-[2-methoxy-6-(morpholine-4-carbonyl)quinolin-4-yl]-3,4-dihydro-2H-isoquinolin-1-one
SMILESCOc1cc(-c2ccc3c(c2)CCNC3=O)c2cc(C(=O)N3CCOCC3)ccc2n1
InChIInChI=1S/C24H23N3O4/c1-30-22-14-19(15-2-4-18-16(12-15)6-7-25-23(18)28)20-13-17(3-5-21(20)26-22)24(29)27-8-10-31-11-9-27/h2-5,12-14H,6-11H2,1H3,(H,25,28)
InChIKeyWXUWQQAIWMRNCW-UHFFFAOYSA-N
MW417.47 g/mol
LogP2.67
Rot. Bonds3

About 6-[2-methoxy-6-(morpholine-4-carbonyl)quinolin-4-yl]-3,4-dihydro-2H-isoquinolin-1-one

6-[2-methoxy-6-(morpholine-4-carbonyl)quinolin-4-yl]-3,4-dihydro-2H-isoquinolin-1-one (PubChem CID 177077561) has the molecular formula C24H23N3O4 and a molecular weight of 417.47 g/mol. Its IUPAC name is 6-[2-methoxy-6-(morpholine-4-carbonyl)quinolin-4-yl]-3,4-dihydro-2H-isoquinolin-1-one.

Molecular Properties

Compound Name6-[2-methoxy-6-(morpholine-4-carbonyl)quinolin-4-yl]-3,4-dihydro-2H-isoquinolin-1-one
PubChem CID177077561
Molecular FormulaC24H23N3O4
Molecular Weight417.47 g/mol
Exact Mass417.17
IUPAC Name6-[2-methoxy-6-(morpholine-4-carbonyl)quinolin-4-yl]-3,4-dihydro-2H-isoquinolin-1-one
SMILESCOc1cc(-c2ccc3c(c2)CCNC3=O)c2cc(C(=O)N3CCOCC3)ccc2n1
InChIInChI=1S/C24H23N3O4/c1-30-22-14-19(15-2-4-18-16(12-15)6-7-25-23(18)28)20-13-17(3-5-21(20)26-22)24(29)27-8-10-31-11-9-27/h2-5,12-14H,6-11H2,1H3,(H,25,28)
InChIKeyWXUWQQAIWMRNCW-UHFFFAOYSA-N
XLogP2.67
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[2-methoxy-6-(morpholine-4-carbonyl)quinolin-4-yl]-3,4-dihydro-2H-isoquinolin-1-one with MolForge

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Related Compounds

1-[4-[2-methoxy-6-(morpholine-4-carbonyl)quinolin-4-yl]piperazin-1-yl]ethanone
CID 177077574
2-methoxy-6-(morpholine-4-carbonyl)quinoline-4-carbonitrile
CID 177077639
2-methoxy-6-(morpholine-4-carbonyl)quinoline-4-carboxamide
CID 177077740
[2-methoxy-4-[3-(1-tritylpyrazol-4-yl)phenyl]quinolin-6-yl]-morpholin-4-ylmethanone
CID 177077621
(4-azido-2-methoxyquinolin-6-yl)-morpholin-4-ylmethanone
CID 177077562
(4-butoxy-2-methoxyquinolin-6-yl)-morpholin-4-ylmethanone
CID 177077600
2,3-dihydro-1H-indol-6-yl(morpholin-4-yl)methanone
CID 90299623
[4-(4-methoxyphenyl)phenyl]-morpholin-4-ylmethanone
CID 3530238
(2-methoxy-1,3-benzothiazol-6-yl)-morpholin-4-ylmethanone
CID 177077642
[2-[4-(morpholine-4-carbonyl)-2-pyridinyl]-4-pyridinyl]-morpholin-4-ylmethanone
CID 171623322
(2E)-1-acetyl-2-[[6-(morpholine-4-carbonyl)-4-pyridin-4-ylquinolin-2-yl]methylidene]indol-3-one
CID 176732761
[3-[3-(2,3-dihydro-1H-indol-6-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone
CID 70840387

Frequently Asked Questions

What is the IUPAC name of 6-[2-methoxy-6-(morpholine-4-carbonyl)quinolin-4-yl]-3,4-dihydro-2H-isoquinolin-1-one?
The IUPAC name of 6-[2-methoxy-6-(morpholine-4-carbonyl)quinolin-4-yl]-3,4-dihydro-2H-isoquinolin-1-one (CID 177077561) is 6-[2-methoxy-6-(morpholine-4-carbonyl)quinolin-4-yl]-3,4-dihydro-2H-isoquinolin-1-one.
What is the SMILES notation for 6-[2-methoxy-6-(morpholine-4-carbonyl)quinolin-4-yl]-3,4-dihydro-2H-isoquinolin-1-one?
The canonical SMILES for 6-[2-methoxy-6-(morpholine-4-carbonyl)quinolin-4-yl]-3,4-dihydro-2H-isoquinolin-1-one is COc1cc(-c2ccc3c(c2)CCNC3=O)c2cc(C(=O)N3CCOCC3)ccc2n1.
What is the InChIKey of 6-[2-methoxy-6-(morpholine-4-carbonyl)quinolin-4-yl]-3,4-dihydro-2H-isoquinolin-1-one?
The InChIKey is WXUWQQAIWMRNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4/c1-30-22-14-19(15-2-4-18-16(12-15)6-7-25-23(18)28)20-13-17(3-5-21(20)26-22)24(29)27-8-10-31-11-9-27/h2-5,12-14H,6-11H2,1H3,(H,25,28).
What are the key properties of 6-[2-methoxy-6-(morpholine-4-carbonyl)quinolin-4-yl]-3,4-dihydro-2H-isoquinolin-1-one?
6-[2-methoxy-6-(morpholine-4-carbonyl)quinolin-4-yl]-3,4-dihydro-2H-isoquinolin-1-one has a molecular weight of 417.47 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-methoxy-6-(morpholine-4-carbonyl)quinolin-4-yl]-3,4-dihydro-2H-isoquinolin-1-one is sourced from PubChem (CID 177077561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).