N-[(7R,8S)-7-methyl-4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide

C23H27N3O2 — CID 71537632

IUPACN-[(7R,8S)-7-methyl-4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide
SMILESCCC(=O)N[C@@H]1c2cncc(-c3ccc4c(c3)CCC(=O)N4C)c2CC[C@H]1C
InChIInChI=1S/C23H27N3O2/c1-4-21(27)25-23-14(2)5-8-17-18(12-24-13-19(17)23)15-6-9-20-16(11-15)7-10-22(28)26(20)3/h6,9,11-14,23H,4-5,7-8,10H2,1-3H3,(H,25,27)/t14-,23+/m1/s1
InChIKeyLFQHLXKJVGDOPH-FATZIPQQSA-N
MW377.49 g/mol
LogP3.81
Rot. Bonds3

About N-[(7R,8S)-7-methyl-4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide

N-[(7R,8S)-7-methyl-4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide (PubChem CID 71537632) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[(7R,8S)-7-methyl-4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide.

Molecular Properties

Compound NameN-[(7R,8S)-7-methyl-4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide
PubChem CID71537632
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC NameN-[(7R,8S)-7-methyl-4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide
SMILESCCC(=O)N[C@@H]1c2cncc(-c3ccc4c(c3)CCC(=O)N4C)c2CC[C@H]1C
InChIInChI=1S/C23H27N3O2/c1-4-21(27)25-23-14(2)5-8-17-18(12-24-13-19(17)23)15-6-9-20-16(11-15)7-10-22(28)26(20)3/h6,9,11-14,23H,4-5,7-8,10H2,1-3H3,(H,25,27)/t14-,23+/m1/s1
InChIKeyLFQHLXKJVGDOPH-FATZIPQQSA-N
XLogP3.81
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(7R,8S)-7-methyl-4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide with MolForge

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Related Compounds

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-[(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
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-[7-fluoro-4-(2-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide
CID 134268287
N-[4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6-dihydroisoquinolin-8-yl]propanamide
CID 71538745
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
N-[(8S)-4-(7-chloro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide
CID 71537345
N-[(8R)-4-(8-chloro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide
CID 71537630
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
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-[8-(3-pyrimidin-2-yloxyazetidine-1-carbonyl)-5,6,7,8-tetrahydroisoquinolin-4-yl]-3,4-dihydroquinolin-2-one
CID 172554971

Frequently Asked Questions

What is the IUPAC name of N-[(7R,8S)-7-methyl-4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide?
The IUPAC name of 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) is N-[(7R,8S)-7-methyl-4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide.
What is the SMILES notation for N-[(7R,8S)-7-methyl-4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide?
The canonical SMILES for N-[(7R,8S)-7-methyl-4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide is CCC(=O)N[C@@H]1c2cncc(-c3ccc4c(c3)CCC(=O)N4C)c2CC[C@H]1C.
What is the InChIKey of N-[(7R,8S)-7-methyl-4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide?
The InChIKey is LFQHLXKJVGDOPH-FATZIPQQSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-4-21(27)25-23-14(2)5-8-17-18(12-24-13-19(17)23)15-6-9-20-16(11-15)7-10-22(28)26(20)3/h6,9,11-14,23H,4-5,7-8,10H2,1-3H3,(H,25,27)/t14-,23+/m1/s1.
What are the key properties of N-[(7R,8S)-7-methyl-4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide?
N-[(7R,8S)-7-methyl-4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide has a molecular weight of 377.49 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7R,8S)-7-methyl-4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide is sourced from PubChem (CID 71537632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).