N-cyclopropyl-N-[(2S,4R)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide

C23H26N2O3 — CID 68923656

IUPACN-cyclopropyl-N-[(2S,4R)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide
SMILESCOc1ccc(C(=O)N2c3ccccc3[C@H](N(C(C)=O)C3CC3)C[C@@H]2C)cc1
InChIInChI=1S/C23H26N2O3/c1-15-14-22(25(16(2)26)18-10-11-18)20-6-4-5-7-21(20)24(15)23(27)17-8-12-19(28-3)13-9-17/h4-9,12-13,15,18,22H,10-11,14H2,1-3H3/t15-,22+/m0/s1
InChIKeySBEXGCIXYJHKOP-OYHNWAKOSA-N
MW378.47 g/mol
LogP4.19
Rot. Bonds4

About N-cyclopropyl-N-[(2S,4R)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide

N-cyclopropyl-N-[(2S,4R)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide (PubChem CID 68923656) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is N-cyclopropyl-N-[(2S,4R)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(2S,4R)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide
PubChem CID68923656
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC NameN-cyclopropyl-N-[(2S,4R)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide
SMILESCOc1ccc(C(=O)N2c3ccccc3[C@H](N(C(C)=O)C3CC3)C[C@@H]2C)cc1
InChIInChI=1S/C23H26N2O3/c1-15-14-22(25(16(2)26)18-10-11-18)20-6-4-5-7-21(20)24(15)23(27)17-8-12-19(28-3)13-9-17/h4-9,12-13,15,18,22H,10-11,14H2,1-3H3/t15-,22+/m0/s1
InChIKeySBEXGCIXYJHKOP-OYHNWAKOSA-N
XLogP4.19
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-cyclopropyl-N-[(2S,4R)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide with MolForge

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Related Compounds

N-(4-aminophenyl)-N-[(2S,4R)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide
CID 58859767
N-[1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-nitrophenyl)acetamide
CID 21092894
methyl 2-[4-[acetyl-[1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenoxy]acetate
CID 68921236
3-[4-[acetyl-[(4R)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]propanoic acid
CID 71029107
(E)-N-[(2S,4R)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N,3-diphenylprop-2-enamide
CID 40838810
methyl 2-[4-[acetyl-[1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]-2-methylpropanoate
CID 68925668
3-[4-[acetyl-[(2S,4R)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]-N,N-dimethylpropanamide
CID 58859661
N-(1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl)-N-(3-methoxyphenyl)acetamide
CID 19576143
N-[(2S,4R)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 58859658
N-[(2S,4S)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylthiophene-2-carboxamide
CID 1108479
(E)-N-[1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N,3-diphenylprop-2-enamide;propan-2-ol
CID 44656141
(4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(4-methoxyphenyl)methanone
CID 585634

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(2S,4R)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide?
The IUPAC name of N-cyclopropyl-N-[(2S,4R)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide (CID 68923656) is N-cyclopropyl-N-[(2S,4R)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-N-[(2S,4R)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide?
The canonical SMILES for N-cyclopropyl-N-[(2S,4R)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide is COc1ccc(C(=O)N2c3ccccc3[C@H](N(C(C)=O)C3CC3)C[C@@H]2C)cc1.
What is the InChIKey of N-cyclopropyl-N-[(2S,4R)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide?
The InChIKey is SBEXGCIXYJHKOP-OYHNWAKOSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-15-14-22(25(16(2)26)18-10-11-18)20-6-4-5-7-21(20)24(15)23(27)17-8-12-19(28-3)13-9-17/h4-9,12-13,15,18,22H,10-11,14H2,1-3H3/t15-,22+/m0/s1.
What are the key properties of N-cyclopropyl-N-[(2S,4R)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide?
N-cyclopropyl-N-[(2S,4R)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide has a molecular weight of 378.47 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(2S,4R)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide is sourced from PubChem (CID 68923656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).