N-[4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6-dihydroisoquinolin-8-yl]propanamide

C22H23N3O2 — CID 71538745

IUPACN-[4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6-dihydroisoquinolin-8-yl]propanamide
SMILESCCC(=O)NC1=CCCc2c1cncc2-c1ccc2c(c1)CCC(=O)N2C
InChIInChI=1S/C22H23N3O2/c1-3-21(26)24-19-6-4-5-16-17(12-23-13-18(16)19)14-7-9-20-15(11-14)8-10-22(27)25(20)2/h6-7,9,11-13H,3-5,8,10H2,1-2H3,(H,24,26)
InChIKeyHAICWNWRAUVVBM-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.47
Rot. Bonds3

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

N-[4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6-dihydroisoquinolin-8-yl]propanamide (PubChem CID 71538745) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-[4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6-dihydroisoquinolin-8-yl]propanamide.

Molecular Properties

Compound NameN-[4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6-dihydroisoquinolin-8-yl]propanamide
PubChem CID71538745
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC NameN-[4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6-dihydroisoquinolin-8-yl]propanamide
SMILESCCC(=O)NC1=CCCc2c1cncc2-c1ccc2c(c1)CCC(=O)N2C
InChIInChI=1S/C22H23N3O2/c1-3-21(26)24-19-6-4-5-16-17(12-23-13-18(16)19)14-7-9-20-15(11-14)8-10-22(27)25(20)2/h6-7,9,11-13H,3-5,8,10H2,1-2H3,(H,24,26)
InChIKeyHAICWNWRAUVVBM-UHFFFAOYSA-N
XLogP3.47
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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-[(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-[(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
6-[1-(2-aminoethyl)-3,4-dihydro-2H-1,7-naphthyridin-5-yl]-1-methyl-3,4-dihydroquinolin-2-one
CID 71536486
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-(6-chloro-2-pyridinyl)-2-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]acetamide
CID 78320873
2-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]acetamide
CID 123991591
N-(2-ethoxyethyl)-5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)pyridine-3-carboxamide
CID 89439796
6-[4-chloro-5-[(decylamino)methyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 150308947
(S)-N-[[4-chloro-5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]-2-methylpropane-2-sulfinamide
CID 163639965

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6-dihydroisoquinolin-8-yl]propanamide?
The IUPAC name of N-[4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6-dihydroisoquinolin-8-yl]propanamide (CID 71538745) is N-[4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6-dihydroisoquinolin-8-yl]propanamide.
What is the SMILES notation for N-[4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6-dihydroisoquinolin-8-yl]propanamide?
The canonical SMILES for N-[4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6-dihydroisoquinolin-8-yl]propanamide is CCC(=O)NC1=CCCc2c1cncc2-c1ccc2c(c1)CCC(=O)N2C.
What is the InChIKey of N-[4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6-dihydroisoquinolin-8-yl]propanamide?
The InChIKey is HAICWNWRAUVVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-3-21(26)24-19-6-4-5-16-17(12-23-13-18(16)19)14-7-9-20-15(11-14)8-10-22(27)25(20)2/h6-7,9,11-13H,3-5,8,10H2,1-2H3,(H,24,26).
What are the key properties of N-[4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6-dihydroisoquinolin-8-yl]propanamide?
N-[4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6-dihydroisoquinolin-8-yl]propanamide has a molecular weight of 361.45 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6-dihydroisoquinolin-8-yl]propanamide is sourced from PubChem (CID 71538745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).