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

C22H24ClN3O2 — CID 71537345

IUPACN-[(8S)-4-(7-chloro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide
SMILESCCC(=O)N[C@H]1CCCc2c(-c3cc4c(cc3Cl)N(C)C(=O)CC4)cncc21
InChIInChI=1S/C22H24ClN3O2/c1-3-21(27)25-19-6-4-5-14-16(11-24-12-17(14)19)15-9-13-7-8-22(28)26(2)20(13)10-18(15)23/h9-12,19H,3-8H2,1-2H3,(H,25,27)/t19-/m0/s1
InChIKeyRESAQABNYJJGKY-IBGZPJMESA-N
MW397.91 g/mol
LogP4.21
Rot. Bonds3

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

N-[(8S)-4-(7-chloro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide (PubChem CID 71537345) has the molecular formula C22H24ClN3O2 and a molecular weight of 397.91 g/mol. Its IUPAC name is N-[(8S)-4-(7-chloro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide.

Molecular Properties

Compound NameN-[(8S)-4-(7-chloro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide
PubChem CID71537345
Molecular FormulaC22H24ClN3O2
Molecular Weight397.91 g/mol
Exact Mass397.16
IUPAC NameN-[(8S)-4-(7-chloro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide
SMILESCCC(=O)N[C@H]1CCCc2c(-c3cc4c(cc3Cl)N(C)C(=O)CC4)cncc21
InChIInChI=1S/C22H24ClN3O2/c1-3-21(27)25-19-6-4-5-14-16(11-24-12-17(14)19)15-9-13-7-8-22(28)26(2)20(13)10-18(15)23/h9-12,19H,3-8H2,1-2H3,(H,25,27)/t19-/m0/s1
InChIKeyRESAQABNYJJGKY-IBGZPJMESA-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

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Related Compounds

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)-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-[(8R)-4-[(1S)-6-chloro-3-oxo-1-prop-1-en-2-yl-1H-isoindol-2-yl]-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide
CID 154934813
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-[(8R)-4-(1-methyl-2,3-dioxo-4H-quinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]acetamide
CID 151222872
N-[1-[5-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]ethyl]propanamide
CID 89439881
N-[4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6-dihydroisoquinolin-8-yl]propanamide
CID 71538745
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-[(8S)-4-(7-chloro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide?
The IUPAC name of N-[(8S)-4-(7-chloro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide (CID 71537345) is N-[(8S)-4-(7-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-[(8S)-4-(7-chloro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide?
The canonical SMILES for N-[(8S)-4-(7-chloro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide is CCC(=O)N[C@H]1CCCc2c(-c3cc4c(cc3Cl)N(C)C(=O)CC4)cncc21.
What is the InChIKey of N-[(8S)-4-(7-chloro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide?
The InChIKey is RESAQABNYJJGKY-IBGZPJMESA-N. The full InChI is InChI=1S/C22H24ClN3O2/c1-3-21(27)25-19-6-4-5-14-16(11-24-12-17(14)19)15-9-13-7-8-22(28)26(2)20(13)10-18(15)23/h9-12,19H,3-8H2,1-2H3,(H,25,27)/t19-/m0/s1.
What are the key properties of N-[(8S)-4-(7-chloro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide?
N-[(8S)-4-(7-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-[(8S)-4-(7-chloro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide is sourced from PubChem (CID 71537345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).