N-[7-fluoro-4-(2-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide

C22H26FN3O2 — CID 134268287

IUPACN-[7-fluoro-4-(2-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide
SMILESCCC(=O)NC1c2cncc(-c3ccc4c(c3)CCC(O)N4C)c2CCC1F
InChIInChI=1S/C22H26FN3O2/c1-3-20(27)25-22-17-12-24-11-16(15(17)6-7-18(22)23)13-4-8-19-14(10-13)5-9-21(28)26(19)2/h4,8,10-12,18,21-22,28H,3,5-7,9H2,1-2H3,(H,25,27)
InChIKeyCLGPOEAUSUBJNP-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.30
Rot. Bonds3

About N-[7-fluoro-4-(2-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide

N-[7-fluoro-4-(2-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide (PubChem CID 134268287) has the molecular formula C22H26FN3O2 and a molecular weight of 383.47 g/mol. Its IUPAC name is N-[7-fluoro-4-(2-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide.

Molecular Properties

Compound NameN-[7-fluoro-4-(2-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide
PubChem CID134268287
Molecular FormulaC22H26FN3O2
Molecular Weight383.47 g/mol
Exact Mass383.20
IUPAC NameN-[7-fluoro-4-(2-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide
SMILESCCC(=O)NC1c2cncc(-c3ccc4c(c3)CCC(O)N4C)c2CCC1F
InChIInChI=1S/C22H26FN3O2/c1-3-20(27)25-22-17-12-24-11-16(15(17)6-7-18(22)23)13-4-8-19-14(10-13)5-9-21(28)26(19)2/h4,8,10-12,18,21-22,28H,3,5-7,9H2,1-2H3,(H,25,27)
InChIKeyCLGPOEAUSUBJNP-UHFFFAOYSA-N
XLogP3.30
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[7-fluoro-4-(2-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide 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

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-[(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-[4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6-dihydroisoquinolin-8-yl]propanamide
CID 71538745
N-[(8R)-4-(1-methyl-2,3-dioxo-4H-quinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]acetamide
CID 151222872
N-[(8R)-4-(8-chloro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide
CID 71537630
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
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
N-[(8R)-4-(1-methyl-4,5-dihydrobenzo[e][1,2]benzoxazol-7-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide
CID 176657024
N-[(8S)-4-(7-chloro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide
CID 71537345
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

Frequently Asked Questions

What is the IUPAC name of N-[7-fluoro-4-(2-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide?
The IUPAC name of 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) is N-[7-fluoro-4-(2-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide.
What is the SMILES notation for N-[7-fluoro-4-(2-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide?
The canonical SMILES for N-[7-fluoro-4-(2-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide is CCC(=O)NC1c2cncc(-c3ccc4c(c3)CCC(O)N4C)c2CCC1F.
What is the InChIKey of N-[7-fluoro-4-(2-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide?
The InChIKey is CLGPOEAUSUBJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O2/c1-3-20(27)25-22-17-12-24-11-16(15(17)6-7-18(22)23)13-4-8-19-14(10-13)5-9-21(28)26(19)2/h4,8,10-12,18,21-22,28H,3,5-7,9H2,1-2H3,(H,25,27).
What are the key properties of N-[7-fluoro-4-(2-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide?
N-[7-fluoro-4-(2-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide has a molecular weight of 383.47 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-fluoro-4-(2-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide is sourced from PubChem (CID 134268287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).