6-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]-3,4-dihydro-2H-isoquinolin-1-one

C24H23N3O3 — CID 71242060

IUPAC6-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]-3,4-dihydro-2H-isoquinolin-1-one
SMILESC[C@@H](Oc1cc(-c2ccc3c(c2)CCNC3=O)cc2ncccc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C24H23N3O3/c1-14(18-12-23(28)27-13-18)30-22-11-17(10-21-20(22)3-2-7-25-21)15-4-5-19-16(9-15)6-8-26-24(19)29/h2-5,7,9-11,14,18H,6,8,12-13H2,1H3,(H,26,29)(H,27,28)/t14-,18-/m1/s1
InChIKeyIXZHTMNQSSSAPE-RDTXWAMCSA-N
MW401.47 g/mol
LogP3.09
Rot. Bonds4

About 6-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]-3,4-dihydro-2H-isoquinolin-1-one

6-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]-3,4-dihydro-2H-isoquinolin-1-one (PubChem CID 71242060) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is 6-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]-3,4-dihydro-2H-isoquinolin-1-one.

Molecular Properties

Compound Name6-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]-3,4-dihydro-2H-isoquinolin-1-one
PubChem CID71242060
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC Name6-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]-3,4-dihydro-2H-isoquinolin-1-one
SMILESC[C@@H](Oc1cc(-c2ccc3c(c2)CCNC3=O)cc2ncccc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C24H23N3O3/c1-14(18-12-23(28)27-13-18)30-22-11-17(10-21-20(22)3-2-7-25-21)15-4-5-19-16(9-15)6-8-26-24(19)29/h2-5,7,9-11,14,18H,6,8,12-13H2,1H3,(H,26,29)(H,27,28)/t14-,18-/m1/s1
InChIKeyIXZHTMNQSSSAPE-RDTXWAMCSA-N
XLogP3.09
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]-3,4-dihydro-2H-isoquinolin-1-one with MolForge

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Related Compounds

Ibcasertib
CID 49779393
N-[(3-methoxyphenyl)methyl]-5H-[1]benzopyrano[3,4-c]pyridine-8-carboxamide
CID 121363591
(R)-6-isopropoxy-4-(piperidin-3-yloxy)quinoline-7-carboxamide
CID 126573681
7-Methoxy-4-[5-(2-methoxyethylcarbamoyl)naphthalen-2-yl]oxyquinoline-6-carboxamide
CID 11224593
6-(6,7-dimethoxyquinolin-4-yl)oxy-N-(2-methoxyethyl)naphthalene-1-carboxamide
CID 11362483
N-Cyclopropyl-6-[(7-methoxy-4-quinolinyl)oxy]-1-naphthalenecarboxamide
CID 11383525
6-[(6,7-Dimethoxy-4-quinolinyl)oxy]-N-ethyl-1-naphthalenecarboxamide
CID 11486459
4-[5-(Cyclopropylcarbamoyl)naphthalen-2-yl]oxy-7-methoxyquinoline-6-carboxamide
CID 11750694
2-((6,7-dimethoxyquinolin-4-yl)methyl)-N-(3-(trifluoromethyl)phenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 44568608
N-[(1R)-1-(3-methoxyphenyl)ethyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
CID 86764444
(3-methoxy-4-(quinolin-8-yl)phenyl)((1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone
CID 46890101
6-(6-acetyl-7-methoxyquinolin-4-yl)oxy-N-cyclopropylnaphthalene-1-carboxamide
CID 52944070

Frequently Asked Questions

What is the IUPAC name of 6-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]-3,4-dihydro-2H-isoquinolin-1-one?
The IUPAC name of 6-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]-3,4-dihydro-2H-isoquinolin-1-one (CID 71242060) is 6-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]-3,4-dihydro-2H-isoquinolin-1-one.
What is the SMILES notation for 6-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]-3,4-dihydro-2H-isoquinolin-1-one?
The canonical SMILES for 6-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]-3,4-dihydro-2H-isoquinolin-1-one is C[C@@H](Oc1cc(-c2ccc3c(c2)CCNC3=O)cc2ncccc12)[C@H]1CNC(=O)C1.
What is the InChIKey of 6-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]-3,4-dihydro-2H-isoquinolin-1-one?
The InChIKey is IXZHTMNQSSSAPE-RDTXWAMCSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-14(18-12-23(28)27-13-18)30-22-11-17(10-21-20(22)3-2-7-25-21)15-4-5-19-16(9-15)6-8-26-24(19)29/h2-5,7,9-11,14,18H,6,8,12-13H2,1H3,(H,26,29)(H,27,28)/t14-,18-/m1/s1.
What are the key properties of 6-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]-3,4-dihydro-2H-isoquinolin-1-one?
6-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]-3,4-dihydro-2H-isoquinolin-1-one has a molecular weight of 401.47 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]-3,4-dihydro-2H-isoquinolin-1-one is sourced from PubChem (CID 71242060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).