4-[1-acetyl-2-methyl-4-(pyridin-2-ylamino)-3,4-dihydro-2H-quinolin-6-yl]-N-[2-(dimethylamino)ethyl]benzamide

C28H33N5O2 — CID 78077556

IUPAC4-[1-acetyl-2-methyl-4-(pyridin-2-ylamino)-3,4-dihydro-2H-quinolin-6-yl]-N-[2-(dimethylamino)ethyl]benzamide
SMILESCC(=O)N1c2ccc(-c3ccc(C(=O)NCCN(C)C)cc3)cc2C(Nc2ccccn2)CC1C
InChIInChI=1S/C28H33N5O2/c1-19-17-25(31-27-7-5-6-14-29-27)24-18-23(12-13-26(24)33(19)20(2)34)21-8-10-22(11-9-21)28(35)30-15-16-32(3)4/h5-14,18-19,25H,15-17H2,1-4H3,(H,29,31)(H,30,35)
InChIKeyMMZJHVFCJCORRL-UHFFFAOYSA-N
MW471.61 g/mol
LogP4.34
Rot. Bonds7

About 4-[1-acetyl-2-methyl-4-(pyridin-2-ylamino)-3,4-dihydro-2H-quinolin-6-yl]-N-[2-(dimethylamino)ethyl]benzamide

4-[1-acetyl-2-methyl-4-(pyridin-2-ylamino)-3,4-dihydro-2H-quinolin-6-yl]-N-[2-(dimethylamino)ethyl]benzamide (PubChem CID 78077556) has the molecular formula C28H33N5O2 and a molecular weight of 471.61 g/mol. Its IUPAC name is 4-[1-acetyl-2-methyl-4-(pyridin-2-ylamino)-3,4-dihydro-2H-quinolin-6-yl]-N-[2-(dimethylamino)ethyl]benzamide.

Molecular Properties

Compound Name4-[1-acetyl-2-methyl-4-(pyridin-2-ylamino)-3,4-dihydro-2H-quinolin-6-yl]-N-[2-(dimethylamino)ethyl]benzamide
PubChem CID78077556
Molecular FormulaC28H33N5O2
Molecular Weight471.61 g/mol
Exact Mass471.26
IUPAC Name4-[1-acetyl-2-methyl-4-(pyridin-2-ylamino)-3,4-dihydro-2H-quinolin-6-yl]-N-[2-(dimethylamino)ethyl]benzamide
SMILESCC(=O)N1c2ccc(-c3ccc(C(=O)NCCN(C)C)cc3)cc2C(Nc2ccccn2)CC1C
InChIInChI=1S/C28H33N5O2/c1-19-17-25(31-27-7-5-6-14-29-27)24-18-23(12-13-26(24)33(19)20(2)34)21-8-10-22(11-9-21)28(35)30-15-16-32(3)4/h5-14,18-19,25H,15-17H2,1-4H3,(H,29,31)(H,30,35)
InChIKeyMMZJHVFCJCORRL-UHFFFAOYSA-N
XLogP4.34
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.61
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2S,4R)-1-acetyl-2-methyl-4-(pyrazin-2-ylamino)-3,4-dihydro-2H-quinolin-6-yl]-N-[2-(dimethylamino)ethyl]benzamide
CID 70976631
4-[(2S,4R)-1-acetyl-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-6-yl]-N-[2-(dimethylamino)ethyl]benzamide
CID 71468142
4-[(2S,4R)-1-acetyl-2-methyl-4-(pyridin-2-ylamino)-3,4-dihydro-2H-quinolin-6-yl]-N-(2,3-dihydroxypropyl)benzamide
CID 70976660
4-[(2S,4R)-1-acetyl-4-(4-chloroanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]-N-[2-(dimethylamino)ethyl]benzamide
CID 70976532
1-[2-methyl-6-[4-(morpholine-4-carbonyl)phenyl]-4-(pyridin-2-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 78077976
formic acid;1-[(2S,4R)-2-methyl-4-(pyridin-2-ylamino)-6-[4-(pyrrolidine-1-carbonyl)phenyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 71468645
ethyl 6-[(2R,4R)-1-acetyl-2-methyl-4-(pyridin-2-ylamino)-3,4-dihydro-2H-quinolin-6-yl]pyridine-3-carboxylate
CID 135259712
4-[(2S,4R)-1-acetyl-4-(4-chloroanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]-N-[2-(2-aminoethoxy)ethyl]benzamide
CID 168737201
4-[(2S,4R)-1-acetyl-4-(4-chloroanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]-N-(5-aminopentyl)benzamide;hydrochloride
CID 170620550
4-[(2S,4R)-1-acetyl-4-(4-chloroanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]-N-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]benzamide
CID 164531356
1-[4-[(2S,4R)-1-acetyl-2-methyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-6-yl]phenyl]ethanone
CID 90364431
1-[(2S,4R)-4-anilino-2-methyl-6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 118719858

Frequently Asked Questions

What is the IUPAC name of 4-[1-acetyl-2-methyl-4-(pyridin-2-ylamino)-3,4-dihydro-2H-quinolin-6-yl]-N-[2-(dimethylamino)ethyl]benzamide?
The IUPAC name of 4-[1-acetyl-2-methyl-4-(pyridin-2-ylamino)-3,4-dihydro-2H-quinolin-6-yl]-N-[2-(dimethylamino)ethyl]benzamide (CID 78077556) is 4-[1-acetyl-2-methyl-4-(pyridin-2-ylamino)-3,4-dihydro-2H-quinolin-6-yl]-N-[2-(dimethylamino)ethyl]benzamide.
What is the SMILES notation for 4-[1-acetyl-2-methyl-4-(pyridin-2-ylamino)-3,4-dihydro-2H-quinolin-6-yl]-N-[2-(dimethylamino)ethyl]benzamide?
The canonical SMILES for 4-[1-acetyl-2-methyl-4-(pyridin-2-ylamino)-3,4-dihydro-2H-quinolin-6-yl]-N-[2-(dimethylamino)ethyl]benzamide is CC(=O)N1c2ccc(-c3ccc(C(=O)NCCN(C)C)cc3)cc2C(Nc2ccccn2)CC1C.
What is the InChIKey of 4-[1-acetyl-2-methyl-4-(pyridin-2-ylamino)-3,4-dihydro-2H-quinolin-6-yl]-N-[2-(dimethylamino)ethyl]benzamide?
The InChIKey is MMZJHVFCJCORRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N5O2/c1-19-17-25(31-27-7-5-6-14-29-27)24-18-23(12-13-26(24)33(19)20(2)34)21-8-10-22(11-9-21)28(35)30-15-16-32(3)4/h5-14,18-19,25H,15-17H2,1-4H3,(H,29,31)(H,30,35).
What are the key properties of 4-[1-acetyl-2-methyl-4-(pyridin-2-ylamino)-3,4-dihydro-2H-quinolin-6-yl]-N-[2-(dimethylamino)ethyl]benzamide?
4-[1-acetyl-2-methyl-4-(pyridin-2-ylamino)-3,4-dihydro-2H-quinolin-6-yl]-N-[2-(dimethylamino)ethyl]benzamide has a molecular weight of 471.61 g/mol, XLogP of 4.34, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-acetyl-2-methyl-4-(pyridin-2-ylamino)-3,4-dihydro-2H-quinolin-6-yl]-N-[2-(dimethylamino)ethyl]benzamide is sourced from PubChem (CID 78077556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).