1-methyl-6-[(8R)-8-(4-methyl-6-oxopyrimidin-1-yl)-5,6,7,8-tetrahydroisoquinolin-4-yl]-3,4-dihydroquinolin-2-one

C24H24N4O2 — CID 176905133

IUPAC1-methyl-6-[(8R)-8-(4-methyl-6-oxopyrimidin-1-yl)-5,6,7,8-tetrahydroisoquinolin-4-yl]-3,4-dihydroquinolin-2-one
SMILESCc1cc(=O)n([C@@H]2CCCc3c(-c4ccc5c(c4)CCC(=O)N5C)cncc32)cn1
InChIInChI=1S/C24H24N4O2/c1-15-10-24(30)28(14-26-15)22-5-3-4-18-19(12-25-13-20(18)22)16-6-8-21-17(11-16)7-9-23(29)27(21)2/h6,8,10-14,22H,3-5,7,9H2,1-2H3/t22-/m1/s1
InChIKeyCBBDGGXIHYIRAM-JOCHJYFZSA-N
MW400.48 g/mol
LogP3.45
Rot. Bonds2

About 1-methyl-6-[(8R)-8-(4-methyl-6-oxopyrimidin-1-yl)-5,6,7,8-tetrahydroisoquinolin-4-yl]-3,4-dihydroquinolin-2-one

1-methyl-6-[(8R)-8-(4-methyl-6-oxopyrimidin-1-yl)-5,6,7,8-tetrahydroisoquinolin-4-yl]-3,4-dihydroquinolin-2-one (PubChem CID 176905133) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 1-methyl-6-[(8R)-8-(4-methyl-6-oxopyrimidin-1-yl)-5,6,7,8-tetrahydroisoquinolin-4-yl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-methyl-6-[(8R)-8-(4-methyl-6-oxopyrimidin-1-yl)-5,6,7,8-tetrahydroisoquinolin-4-yl]-3,4-dihydroquinolin-2-one
PubChem CID176905133
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name1-methyl-6-[(8R)-8-(4-methyl-6-oxopyrimidin-1-yl)-5,6,7,8-tetrahydroisoquinolin-4-yl]-3,4-dihydroquinolin-2-one
SMILESCc1cc(=O)n([C@@H]2CCCc3c(-c4ccc5c(c4)CCC(=O)N5C)cncc32)cn1
InChIInChI=1S/C24H24N4O2/c1-15-10-24(30)28(14-26-15)22-5-3-4-18-19(12-25-13-20(18)22)16-6-8-21-17(11-16)7-9-23(29)27(21)2/h6,8,10-14,22H,3-5,7,9H2,1-2H3/t22-/m1/s1
InChIKeyCBBDGGXIHYIRAM-JOCHJYFZSA-N
XLogP3.45
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-methyl-6-[(8R)-8-(4-methyl-6-oxopyrimidin-1-yl)-5,6,7,8-tetrahydroisoquinolin-4-yl]-3,4-dihydroquinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2,3,3,3-pentahydroxy-N-[4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide
CID 170766309
2,2,3,3,3-pentahydroxy-N-[(8R)-4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide
CID 170766305
1-methyl-6-[8-(3-pyrimidin-2-yloxyazetidine-1-carbonyl)-5,6,7,8-tetrahydroisoquinolin-4-yl]-3,4-dihydroquinolin-2-one
CID 172554971
N-[(8R)-7-methyl-4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide
CID 89473286
N-[(7R,8S)-7-methyl-4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide
CID 71537632
N-[(7R,8R)-7-fluoro-4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide
CID 71537926
N-[(7S,8R)-7-fluoro-4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide;N-[(7R,8S)-7-fluoro-4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide
CID 161127699
6-[1-(2-aminoethyl)-3,4-dihydro-2H-1,7-naphthyridin-5-yl]-1-methyl-3,4-dihydroquinolin-2-one
CID 71536486
N-[(8R)-4-(1-methyl-2,3-dioxo-4H-quinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]acetamide
CID 151222872
1-methyl-6-(5-piperidin-4-yloxy-3-pyridinyl)-3,4-dihydroquinolin-2-one
CID 89440578
N-[4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6-dihydroisoquinolin-8-yl]propanamide
CID 71538745
N-[(8S)-4-(7-chloro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide
CID 71537345

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[(8R)-8-(4-methyl-6-oxopyrimidin-1-yl)-5,6,7,8-tetrahydroisoquinolin-4-yl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-methyl-6-[(8R)-8-(4-methyl-6-oxopyrimidin-1-yl)-5,6,7,8-tetrahydroisoquinolin-4-yl]-3,4-dihydroquinolin-2-one (CID 176905133) is 1-methyl-6-[(8R)-8-(4-methyl-6-oxopyrimidin-1-yl)-5,6,7,8-tetrahydroisoquinolin-4-yl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-methyl-6-[(8R)-8-(4-methyl-6-oxopyrimidin-1-yl)-5,6,7,8-tetrahydroisoquinolin-4-yl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-methyl-6-[(8R)-8-(4-methyl-6-oxopyrimidin-1-yl)-5,6,7,8-tetrahydroisoquinolin-4-yl]-3,4-dihydroquinolin-2-one is Cc1cc(=O)n([C@@H]2CCCc3c(-c4ccc5c(c4)CCC(=O)N5C)cncc32)cn1.
What is the InChIKey of 1-methyl-6-[(8R)-8-(4-methyl-6-oxopyrimidin-1-yl)-5,6,7,8-tetrahydroisoquinolin-4-yl]-3,4-dihydroquinolin-2-one?
The InChIKey is CBBDGGXIHYIRAM-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-15-10-24(30)28(14-26-15)22-5-3-4-18-19(12-25-13-20(18)22)16-6-8-21-17(11-16)7-9-23(29)27(21)2/h6,8,10-14,22H,3-5,7,9H2,1-2H3/t22-/m1/s1.
What are the key properties of 1-methyl-6-[(8R)-8-(4-methyl-6-oxopyrimidin-1-yl)-5,6,7,8-tetrahydroisoquinolin-4-yl]-3,4-dihydroquinolin-2-one?
1-methyl-6-[(8R)-8-(4-methyl-6-oxopyrimidin-1-yl)-5,6,7,8-tetrahydroisoquinolin-4-yl]-3,4-dihydroquinolin-2-one has a molecular weight of 400.48 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[(8R)-8-(4-methyl-6-oxopyrimidin-1-yl)-5,6,7,8-tetrahydroisoquinolin-4-yl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 176905133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).