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

C23H24ClN3O2 — CID 154934813

IUPACN-[(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
SMILESC=C(C)[C@H]1c2cc(Cl)ccc2C(=O)N1c1cncc2c1CCC[C@H]2NC(=O)CC
InChIInChI=1S/C23H24ClN3O2/c1-4-21(28)26-19-7-5-6-15-18(19)11-25-12-20(15)27-22(13(2)3)17-10-14(24)8-9-16(17)23(27)29/h8-12,19,22H,2,4-7H2,1,3H3,(H,26,28)/t19-,22+/m1/s1
InChIKeyCLIJGPDSXVLAHY-KNQAVFIVSA-N
MW409.92 g/mol
LogP4.92
Rot. Bonds4

About 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

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 (PubChem CID 154934813) has the molecular formula C23H24ClN3O2 and a molecular weight of 409.92 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID154934813
Molecular FormulaC23H24ClN3O2
Molecular Weight409.92 g/mol
Exact Mass409.16
IUPAC NameN-[(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
SMILESC=C(C)[C@H]1c2cc(Cl)ccc2C(=O)N1c1cncc2c1CCC[C@H]2NC(=O)CC
InChIInChI=1S/C23H24ClN3O2/c1-4-21(28)26-19-7-5-6-15-18(19)11-25-12-20(15)27-22(13(2)3)17-10-14(24)8-9-16(17)23(27)29/h8-12,19,22H,2,4-7H2,1,3H3,(H,26,28)/t19-,22+/m1/s1
InChIKeyCLIJGPDSXVLAHY-KNQAVFIVSA-N
XLogP4.92
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.92
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 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 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-[(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
5-chloro-2-(6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)-3-methyl-3H-isoindol-1-one
CID 154934904
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
2-(butan-2-ylamino)-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)acetamide
CID 60853386
N-[4-(6-chloro-3-oxo-1H-isoindol-2-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]methanesulfonamide
CID 123283136
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-2-(methylamino)acetamide;hydrochloride
CID 119696427
5-bromo-N-[(4R)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]pyridine-3-carboxamide
CID 25400960
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)pyridine-4-carboxamide
CID 17479306
3-chloro-N-[(1R)-7-chloro-1,2,3,4-tetrahydronaphthalen-1-yl]-4-(2H-tetrazol-5-yl)benzamide
CID 167806344
N-[(4S)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]-2-pyrazol-1-ylacetamide
CID 39726216

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=C(C)[C@H]1c2cc(Cl)ccc2C(=O)N1c1cncc2c1CCC[C@H]2NC(=O)CC.
What is the InChIKey of 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?
The InChIKey is CLIJGPDSXVLAHY-KNQAVFIVSA-N. The full InChI is InChI=1S/C23H24ClN3O2/c1-4-21(28)26-19-7-5-6-15-18(19)11-25-12-20(15)27-22(13(2)3)17-10-14(24)8-9-16(17)23(27)29/h8-12,19,22H,2,4-7H2,1,3H3,(H,26,28)/t19-,22+/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 409.92 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 154934813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).