4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-(pyridin-3-ylmethyl)benzamide;molecular hydrogen

C24H25N3O2 — CID 153360984

IUPAC4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-(pyridin-3-ylmethyl)benzamide;molecular hydrogen
SMILESCC(=O)N1CCCc2cc(-c3ccc(C(=O)NCc4cccnc4)cc3)ccc21.[H][H]
InChIInChI=1S/C24H23N3O2.H2/c1-17(28)27-13-3-5-22-14-21(10-11-23(22)27)19-6-8-20(9-7-19)24(29)26-16-18-4-2-12-25-15-18;/h2,4,6-12,14-15H,3,5,13,16H2,1H3,(H,26,29);1H
InChIKeyPJIWYZGJFOGXJO-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.22
Rot. Bonds4

About 4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-(pyridin-3-ylmethyl)benzamide;molecular hydrogen

4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-(pyridin-3-ylmethyl)benzamide;molecular hydrogen (PubChem CID 153360984) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-(pyridin-3-ylmethyl)benzamide;molecular hydrogen.

Molecular Properties

Compound Name4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-(pyridin-3-ylmethyl)benzamide;molecular hydrogen
PubChem CID153360984
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-(pyridin-3-ylmethyl)benzamide;molecular hydrogen
SMILESCC(=O)N1CCCc2cc(-c3ccc(C(=O)NCc4cccnc4)cc3)ccc21.[H][H]
InChIInChI=1S/C24H23N3O2.H2/c1-17(28)27-13-3-5-22-14-21(10-11-23(22)27)19-6-8-20(9-7-19)24(29)26-16-18-4-2-12-25-15-18;/h2,4,6-12,14-15H,3,5,13,16H2,1H3,(H,26,29);1H
InChIKeyPJIWYZGJFOGXJO-UHFFFAOYSA-N
XLogP4.22
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-(pyridin-3-ylmethyl)benzamide;molecular hydrogen 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

4-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 153360604
4-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(4-chlorophenyl)methyl]benzamide
CID 53043801
1-methyl-2-oxo-N-(pyridin-3-ylmethyl)-3,4-dihydroquinoline-6-carboxamide
CID 52986188
4-(4-methyl-1-propanoyl-2,3-dihydroindol-5-yl)-N-(pyridin-3-ylmethyl)benzamide;molecular hydrogen
CID 153360647
1-(benzenesulfinyl)-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-quinoline-6-carboxamide
CID 143820896
4-(1-acetyl-2,3-dihydroindol-5-yl)-N-(thiophen-2-ylmethyl)benzamide
CID 53109956
4-(6-fluoro-1-propanoyl-2,3-dihydroindol-5-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 149220736
2-[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]-N-(2-hydroxyethyl)acetamide
CID 129145256
2-acetyl-N-[(3,4-dimethoxyphenyl)methyl]-10-(pyridin-3-ylmethyl)-2,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-14-carboxamide
CID 110067004
1-acetyl-N-(pyridin-3-ylmethyl)-2,3-dihydroindole-5-sulfonamide
CID 3640433
2-[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]acetic acid
CID 129145060
N-(pyridin-3-ylmethyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044237

Frequently Asked Questions

What is the IUPAC name of 4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-(pyridin-3-ylmethyl)benzamide;molecular hydrogen?
The IUPAC name of 4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-(pyridin-3-ylmethyl)benzamide;molecular hydrogen (CID 153360984) is 4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-(pyridin-3-ylmethyl)benzamide;molecular hydrogen.
What is the SMILES notation for 4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-(pyridin-3-ylmethyl)benzamide;molecular hydrogen?
The canonical SMILES for 4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-(pyridin-3-ylmethyl)benzamide;molecular hydrogen is CC(=O)N1CCCc2cc(-c3ccc(C(=O)NCc4cccnc4)cc3)ccc21.[H][H].
What is the InChIKey of 4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-(pyridin-3-ylmethyl)benzamide;molecular hydrogen?
The InChIKey is PJIWYZGJFOGXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2.H2/c1-17(28)27-13-3-5-22-14-21(10-11-23(22)27)19-6-8-20(9-7-19)24(29)26-16-18-4-2-12-25-15-18;/h2,4,6-12,14-15H,3,5,13,16H2,1H3,(H,26,29);1H.
What are the key properties of 4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-(pyridin-3-ylmethyl)benzamide;molecular hydrogen?
4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-(pyridin-3-ylmethyl)benzamide;molecular hydrogen has a molecular weight of 387.48 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-(pyridin-3-ylmethyl)benzamide;molecular hydrogen is sourced from PubChem (CID 153360984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).