N-(1-acetyl-6-phenoxy-3,4-dihydro-2H-quinolin-4-yl)-3-(2-amino-4-hydroxy-6-methylphenyl)propanamide

C27H29N3O4 — CID 142307123

IUPACN-(1-acetyl-6-phenoxy-3,4-dihydro-2H-quinolin-4-yl)-3-(2-amino-4-hydroxy-6-methylphenyl)propanamide
SMILESCC(=O)N1CCC(NC(=O)CCc2c(C)cc(O)cc2N)c2cc(Oc3ccccc3)ccc21
InChIInChI=1S/C27H29N3O4/c1-17-14-19(32)15-24(28)22(17)9-11-27(33)29-25-12-13-30(18(2)31)26-10-8-21(16-23(25)26)34-20-6-4-3-5-7-20/h3-8,10,14-16,25,32H,9,11-13,28H2,1-2H3,(H,29,33)
InChIKeyOUDFVRXYKVMHRD-UHFFFAOYSA-N
MW459.55 g/mol
LogP4.62
Rot. Bonds6

About N-(1-acetyl-6-phenoxy-3,4-dihydro-2H-quinolin-4-yl)-3-(2-amino-4-hydroxy-6-methylphenyl)propanamide

N-(1-acetyl-6-phenoxy-3,4-dihydro-2H-quinolin-4-yl)-3-(2-amino-4-hydroxy-6-methylphenyl)propanamide (PubChem CID 142307123) has the molecular formula C27H29N3O4 and a molecular weight of 459.55 g/mol. Its IUPAC name is N-(1-acetyl-6-phenoxy-3,4-dihydro-2H-quinolin-4-yl)-3-(2-amino-4-hydroxy-6-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(1-acetyl-6-phenoxy-3,4-dihydro-2H-quinolin-4-yl)-3-(2-amino-4-hydroxy-6-methylphenyl)propanamide
PubChem CID142307123
Molecular FormulaC27H29N3O4
Molecular Weight459.55 g/mol
Exact Mass459.22
IUPAC NameN-(1-acetyl-6-phenoxy-3,4-dihydro-2H-quinolin-4-yl)-3-(2-amino-4-hydroxy-6-methylphenyl)propanamide
SMILESCC(=O)N1CCC(NC(=O)CCc2c(C)cc(O)cc2N)c2cc(Oc3ccccc3)ccc21
InChIInChI=1S/C27H29N3O4/c1-17-14-19(32)15-24(28)22(17)9-11-27(33)29-25-12-13-30(18(2)31)26-10-8-21(16-23(25)26)34-20-6-4-3-5-7-20/h3-8,10,14-16,25,32H,9,11-13,28H2,1-2H3,(H,29,33)
InChIKeyOUDFVRXYKVMHRD-UHFFFAOYSA-N
XLogP4.62
TPSA104.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 54.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-[(4R)-1-acetyl-6-(naphthalen-1-ylmethyl)-3,4-dihydro-2H-quinolin-4-yl]-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanamide
CID 122195960
N-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-3-(1,3-thiazol-4-yl)propanamide
CID 138994378
1-[6-(3-chlorophenoxy)-4-ethyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 142306751
3-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-1-ethyl-1-methylurea
CID 166185788
N-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-2-(3-methylbutanoylamino)butanediamide
CID 166335845
1-[4-(methylamino)-6-[2-(methyldiazenyl)ethyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 123357809
1-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 110709451
methyl (4R)-6-(2,3-dihydro-1H-inden-2-ylmethyl)-4-[[(2S)-7-hydroxy-9-methyl-2,5-dihydro-1H-3-benzazepine-2-carbonyl]amino]-3,4-dihydro-2H-quinoline-1-carboxylate
CID 142306765
methyl 4-[[2-amino-3-(2,4,6-trimethylphenyl)propanoyl]amino]-6-(2,3-dihydro-1H-inden-2-ylmethyl)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 134338609
4-(pentanoylamino)-N-(4-phenoxyphenyl)piperidine-1-carboxamide
CID 127145242
1-(4-amino-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 59657880
1-(2-hydroxy-4-phenoxyphenyl)butane-1,3-dione
CID 139885763

Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-6-phenoxy-3,4-dihydro-2H-quinolin-4-yl)-3-(2-amino-4-hydroxy-6-methylphenyl)propanamide?
The IUPAC name of N-(1-acetyl-6-phenoxy-3,4-dihydro-2H-quinolin-4-yl)-3-(2-amino-4-hydroxy-6-methylphenyl)propanamide (CID 142307123) is N-(1-acetyl-6-phenoxy-3,4-dihydro-2H-quinolin-4-yl)-3-(2-amino-4-hydroxy-6-methylphenyl)propanamide.
What is the SMILES notation for N-(1-acetyl-6-phenoxy-3,4-dihydro-2H-quinolin-4-yl)-3-(2-amino-4-hydroxy-6-methylphenyl)propanamide?
The canonical SMILES for N-(1-acetyl-6-phenoxy-3,4-dihydro-2H-quinolin-4-yl)-3-(2-amino-4-hydroxy-6-methylphenyl)propanamide is CC(=O)N1CCC(NC(=O)CCc2c(C)cc(O)cc2N)c2cc(Oc3ccccc3)ccc21.
What is the InChIKey of N-(1-acetyl-6-phenoxy-3,4-dihydro-2H-quinolin-4-yl)-3-(2-amino-4-hydroxy-6-methylphenyl)propanamide?
The InChIKey is OUDFVRXYKVMHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O4/c1-17-14-19(32)15-24(28)22(17)9-11-27(33)29-25-12-13-30(18(2)31)26-10-8-21(16-23(25)26)34-20-6-4-3-5-7-20/h3-8,10,14-16,25,32H,9,11-13,28H2,1-2H3,(H,29,33).
What are the key properties of N-(1-acetyl-6-phenoxy-3,4-dihydro-2H-quinolin-4-yl)-3-(2-amino-4-hydroxy-6-methylphenyl)propanamide?
N-(1-acetyl-6-phenoxy-3,4-dihydro-2H-quinolin-4-yl)-3-(2-amino-4-hydroxy-6-methylphenyl)propanamide has a molecular weight of 459.55 g/mol, XLogP of 4.62, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-6-phenoxy-3,4-dihydro-2H-quinolin-4-yl)-3-(2-amino-4-hydroxy-6-methylphenyl)propanamide is sourced from PubChem (CID 142307123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).