N-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-2-(3-methylbutanoylamino)butanediamide

C20H28N4O4 — CID 166335845

IUPACN-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-2-(3-methylbutanoylamino)butanediamide
SMILESCC(=O)N1CCC(NC(=O)C(CC(N)=O)NC(=O)CC(C)C)c2ccccc21
InChIInChI=1S/C20H28N4O4/c1-12(2)10-19(27)22-16(11-18(21)26)20(28)23-15-8-9-24(13(3)25)17-7-5-4-6-14(15)17/h4-7,12,15-16H,8-11H2,1-3H3,(H2,21,26)(H,22,27)(H,23,28)
InChIKeyDYKYGEJZENLWHL-UHFFFAOYSA-N
MW388.47 g/mol
LogP1.01
Rot. Bonds7

About N-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-2-(3-methylbutanoylamino)butanediamide

N-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-2-(3-methylbutanoylamino)butanediamide (PubChem CID 166335845) has the molecular formula C20H28N4O4 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-2-(3-methylbutanoylamino)butanediamide.

Molecular Properties

Compound NameN-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-2-(3-methylbutanoylamino)butanediamide
PubChem CID166335845
Molecular FormulaC20H28N4O4
Molecular Weight388.47 g/mol
Exact Mass388.21
IUPAC NameN-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-2-(3-methylbutanoylamino)butanediamide
SMILESCC(=O)N1CCC(NC(=O)C(CC(N)=O)NC(=O)CC(C)C)c2ccccc21
InChIInChI=1S/C20H28N4O4/c1-12(2)10-19(27)22-16(11-18(21)26)20(28)23-15-8-9-24(13(3)25)17-7-5-4-6-14(15)17/h4-7,12,15-16H,8-11H2,1-3H3,(H2,21,26)(H,22,27)(H,23,28)
InChIKeyDYKYGEJZENLWHL-UHFFFAOYSA-N
XLogP1.01
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-1-ethyl-1-methylurea
CID 166185788
N-[(2R)-4-amino-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1,4-dioxobutan-2-yl]-3-methylbutanamide
CID 129358692
1-(4-amino-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 59657880
(2R)-2-acetamido-N-[(1S)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]pentanediamide
CID 95156854
N-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-3-(1,3-thiazol-4-yl)propanamide
CID 138994378
N-(1-acetyl-6-phenyl-3,4-dihydro-2H-quinolin-4-yl)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanamide
CID 134345126
1-[5-(ethylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]ethanone
CID 114335777
N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)propanamide
CID 110751361
1-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 110709451
N-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 166185792
tert-butyl (4S)-4-(phenylmethoxycarbonylamino)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 163342101
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-4-yl)acetamide
CID 110603917

Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-2-(3-methylbutanoylamino)butanediamide?
The IUPAC name of N-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-2-(3-methylbutanoylamino)butanediamide (CID 166335845) is N-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-2-(3-methylbutanoylamino)butanediamide.
What is the SMILES notation for N-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-2-(3-methylbutanoylamino)butanediamide?
The canonical SMILES for N-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-2-(3-methylbutanoylamino)butanediamide is CC(=O)N1CCC(NC(=O)C(CC(N)=O)NC(=O)CC(C)C)c2ccccc21.
What is the InChIKey of N-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-2-(3-methylbutanoylamino)butanediamide?
The InChIKey is DYKYGEJZENLWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O4/c1-12(2)10-19(27)22-16(11-18(21)26)20(28)23-15-8-9-24(13(3)25)17-7-5-4-6-14(15)17/h4-7,12,15-16H,8-11H2,1-3H3,(H2,21,26)(H,22,27)(H,23,28).
What are the key properties of N-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-2-(3-methylbutanoylamino)butanediamide?
N-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-2-(3-methylbutanoylamino)butanediamide has a molecular weight of 388.47 g/mol, XLogP of 1.01, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-2-(3-methylbutanoylamino)butanediamide is sourced from PubChem (CID 166335845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).