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

C22H24ClN3O2 — CID 71537051

IUPACN-[4-(8-chloro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide
SMILESCCC(=O)NC1CCCc2c(-c3cc(Cl)c4c(c3)CCC(=O)N4C)cncc21
InChIInChI=1S/C22H24ClN3O2/c1-3-20(27)25-19-6-4-5-15-16(11-24-12-17(15)19)14-9-13-7-8-21(28)26(2)22(13)18(23)10-14/h9-12,19H,3-8H2,1-2H3,(H,25,27)
InChIKeyPYDLSXYBCSOQEO-UHFFFAOYSA-N
MW397.91 g/mol
LogP4.21
Rot. Bonds3

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

N-[4-(8-chloro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide (PubChem CID 71537051) has the molecular formula C22H24ClN3O2 and a molecular weight of 397.91 g/mol. Its IUPAC name is N-[4-(8-chloro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide.

Molecular Properties

Compound NameN-[4-(8-chloro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide
PubChem CID71537051
Molecular FormulaC22H24ClN3O2
Molecular Weight397.91 g/mol
Exact Mass397.16
IUPAC NameN-[4-(8-chloro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide
SMILESCCC(=O)NC1CCCc2c(-c3cc(Cl)c4c(c3)CCC(=O)N4C)cncc21
InChIInChI=1S/C22H24ClN3O2/c1-3-20(27)25-19-6-4-5-15-16(11-24-12-17(15)19)14-9-13-7-8-21(28)26(2)22(13)18(23)10-14/h9-12,19H,3-8H2,1-2H3,(H,25,27)
InChIKeyPYDLSXYBCSOQEO-UHFFFAOYSA-N
XLogP4.21
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.91
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-(8-chloro-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

Baxdrostat
CID 71535962
8-Chloro-6-pyridin-3-yl-3,4-dihydroquinolin-2(1H)-one
CID 25180299
N-[(8R)-4-(6-chloro-1-oxo-3,4-dihydroisoquinolin-2-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]acetamide
CID 89605599
N-[(8R)-4-(6-chloro-1-oxo-3,4-dihydroisoquinolin-2-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide
CID 89605605
(14R,18S)-18-[4-(3-chloro-2,6-difluorophenyl)-6-oxo-2,3-dihydropyridin-1-yl]-14-methyl-8,12,20-triazatetracyclo[17.3.1.02,11.04,9]tricosa-1(23),2(11),3,9,19,21-hexaene-7,13-dione
CID 90060483
6-[(3-Chlorophenyl)-pyridin-3-ylmethyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one
CID 71521718
6-[(3-Chlorophenyl)-pyridin-4-ylmethyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one
CID 71521803
1-(4-Chlorophenyl)-2-[4-[methyl(pyridin-4-ylmethyl)amino]phenyl]-7-(propan-2-ylamino)-1,4-dihydroisoquinolin-3-one
CID 58438064
N-[1-(4-chlorophenyl)-2-[4-[methyl(pyridin-4-ylmethyl)amino]phenyl]-3-oxo-1,4-dihydroisoquinolin-7-yl]propanamide
CID 58438270
(Rac)-Baxdrostat
CID 71535961
(rac)-N-[4-(7-Fluoro-1-methyl-2-oxo-1,2,3,4-tetrahydro-quinolin-6-yl)-5,6,7,8-tetrahydro isoquinolin-8-yl]-propionamide
CID 71537046
(rac)-Ethanesulfonic acid [4-(7-chloro-1-methyl-2-oxo-1,2,3,4-tetrahydro-quinolin-6-yl)-5,6,7,8-tetrahydro-isoquinolin-8-yl]-amide
CID 71537344

Frequently Asked Questions

What is the IUPAC name of N-[4-(8-chloro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide?
The IUPAC name of N-[4-(8-chloro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide (CID 71537051) is N-[4-(8-chloro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide.
What is the SMILES notation for N-[4-(8-chloro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide?
The canonical SMILES for N-[4-(8-chloro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide is CCC(=O)NC1CCCc2c(-c3cc(Cl)c4c(c3)CCC(=O)N4C)cncc21.
What is the InChIKey of N-[4-(8-chloro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide?
The InChIKey is PYDLSXYBCSOQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O2/c1-3-20(27)25-19-6-4-5-15-16(11-24-12-17(15)19)14-9-13-7-8-21(28)26(2)22(13)18(23)10-14/h9-12,19H,3-8H2,1-2H3,(H,25,27).
What are the key properties of N-[4-(8-chloro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide?
N-[4-(8-chloro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide has a molecular weight of 397.91 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(8-chloro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide is sourced from PubChem (CID 71537051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).