4-[[(2S)-1-acetyl-2-cyclopropyl-6-(3,6-dihydro-2H-pyran-4-yl)-3-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]-N-methylbenzamide

C28H33N3O3 — CID 139325927

IUPAC4-[[(2S)-1-acetyl-2-cyclopropyl-6-(3,6-dihydro-2H-pyran-4-yl)-3-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC2c3cc(C4=CCOCC4)ccc3N(C(C)=O)[C@@H](C3CC3)C2C)cc1
InChIInChI=1S/C28H33N3O3/c1-17-26(30-23-9-6-21(7-10-23)28(33)29-3)24-16-22(19-12-14-34-15-13-19)8-11-25(24)31(18(2)32)27(17)20-4-5-20/h6-12,16-17,20,26-27,30H,4-5,13-15H2,1-3H3,(H,29,33)/t17?,26?,27-/m1/s1
InChIKeyVOIZGAVCFHRDDS-CQDTYWCFSA-N
MW459.59 g/mol
LogP4.78
Rot. Bonds5

About 4-[[(2S)-1-acetyl-2-cyclopropyl-6-(3,6-dihydro-2H-pyran-4-yl)-3-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]-N-methylbenzamide

4-[[(2S)-1-acetyl-2-cyclopropyl-6-(3,6-dihydro-2H-pyran-4-yl)-3-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]-N-methylbenzamide (PubChem CID 139325927) has the molecular formula C28H33N3O3 and a molecular weight of 459.59 g/mol. Its IUPAC name is 4-[[(2S)-1-acetyl-2-cyclopropyl-6-(3,6-dihydro-2H-pyran-4-yl)-3-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[(2S)-1-acetyl-2-cyclopropyl-6-(3,6-dihydro-2H-pyran-4-yl)-3-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]-N-methylbenzamide
PubChem CID139325927
Molecular FormulaC28H33N3O3
Molecular Weight459.59 g/mol
Exact Mass459.25
IUPAC Name4-[[(2S)-1-acetyl-2-cyclopropyl-6-(3,6-dihydro-2H-pyran-4-yl)-3-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC2c3cc(C4=CCOCC4)ccc3N(C(C)=O)[C@@H](C3CC3)C2C)cc1
InChIInChI=1S/C28H33N3O3/c1-17-26(30-23-9-6-21(7-10-23)28(33)29-3)24-16-22(19-12-14-34-15-13-19)8-11-25(24)31(18(2)32)27(17)20-4-5-20/h6-12,16-17,20,26-27,30H,4-5,13-15H2,1-3H3,(H,29,33)/t17?,26?,27-/m1/s1
InChIKeyVOIZGAVCFHRDDS-CQDTYWCFSA-N
XLogP4.78
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.59
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[(2S)-1-acetyl-2-cyclopropyl-6-(3,6-dihydro-2H-pyran-4-yl)-3-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]-N-methylbenzamide 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-[[(2S,3S,4S)-1-acetyl-2-cyclopropyl-6-(3,6-dihydro-2H-pyran-4-yl)-3-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]-N-methylbenzamide
CID 118660368
4-[[(2S,3R)-1-acetyl-2-cyclopropyl-3,6-dimethyl-3,4-dihydro-2H-quinolin-4-yl]amino]-N-methylbenzamide
CID 167024686
6-[[(2R,3R,4R)-1-acetyl-2-cyclopropyl-6-(3,6-dihydro-2H-pyran-4-yl)-3-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]pyridine-3-carbonitrile
CID 90428885
4-[(2S,3R,4R)-1-acetyl-4-anilino-2-cyclopropyl-3-methyl-3,4-dihydro-2H-quinolin-6-yl]benzoic acid
CID 85472290
4-[(3R)-1-acetyl-4-anilino-2-cyclopropyl-3-methyl-3,4-dihydro-2H-quinolin-6-yl]benzoic acid
CID 129081516
4-[(2S,3R,4R)-1-acetyl-4-(4-cyanoanilino)-2-cyclopropyl-3-methyl-3,4-dihydro-2H-quinolin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 90428870
4-[[(2S,3R,4R)-1-acetyl-2-cyclopropyl-6-fluoro-3-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzamide
CID 90434900
(2S,3R)-1-acetyl-2-cyclopropyl-N,3-dimethyl-4-[(6-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-quinoline-6-carboxamide
CID 129081509
(3R)-1-acetyl-2-cyclopropyl-4-[(5-fluoro-2-pyridinyl)amino]-N,3-dimethyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 139326202
1-[(2S,3R,4R)-2-cyclopropyl-3-methyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 118673230
1-[(2S,3R)-4-anilino-2-cyclopropyl-3-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 130202529
1-[(3R)-4-anilino-2-cyclopropyl-3-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 129081366

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-1-acetyl-2-cyclopropyl-6-(3,6-dihydro-2H-pyran-4-yl)-3-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]-N-methylbenzamide?
The IUPAC name of 4-[[(2S)-1-acetyl-2-cyclopropyl-6-(3,6-dihydro-2H-pyran-4-yl)-3-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]-N-methylbenzamide (CID 139325927) is 4-[[(2S)-1-acetyl-2-cyclopropyl-6-(3,6-dihydro-2H-pyran-4-yl)-3-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]-N-methylbenzamide.
What is the SMILES notation for 4-[[(2S)-1-acetyl-2-cyclopropyl-6-(3,6-dihydro-2H-pyran-4-yl)-3-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]-N-methylbenzamide?
The canonical SMILES for 4-[[(2S)-1-acetyl-2-cyclopropyl-6-(3,6-dihydro-2H-pyran-4-yl)-3-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]-N-methylbenzamide is CNC(=O)c1ccc(NC2c3cc(C4=CCOCC4)ccc3N(C(C)=O)[C@@H](C3CC3)C2C)cc1.
What is the InChIKey of 4-[[(2S)-1-acetyl-2-cyclopropyl-6-(3,6-dihydro-2H-pyran-4-yl)-3-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]-N-methylbenzamide?
The InChIKey is VOIZGAVCFHRDDS-CQDTYWCFSA-N. The full InChI is InChI=1S/C28H33N3O3/c1-17-26(30-23-9-6-21(7-10-23)28(33)29-3)24-16-22(19-12-14-34-15-13-19)8-11-25(24)31(18(2)32)27(17)20-4-5-20/h6-12,16-17,20,26-27,30H,4-5,13-15H2,1-3H3,(H,29,33)/t17?,26?,27-/m1/s1.
What are the key properties of 4-[[(2S)-1-acetyl-2-cyclopropyl-6-(3,6-dihydro-2H-pyran-4-yl)-3-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]-N-methylbenzamide?
4-[[(2S)-1-acetyl-2-cyclopropyl-6-(3,6-dihydro-2H-pyran-4-yl)-3-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]-N-methylbenzamide has a molecular weight of 459.59 g/mol, XLogP of 4.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S)-1-acetyl-2-cyclopropyl-6-(3,6-dihydro-2H-pyran-4-yl)-3-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]-N-methylbenzamide is sourced from PubChem (CID 139325927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).