1-(2-aminopropanoyl)-N-[1-(7-bromoquinolin-2-yl)ethyl]diazinane-3-carboxamide

C19H24BrN5O2 — CID 123235030

IUPAC1-(2-aminopropanoyl)-N-[1-(7-bromoquinolin-2-yl)ethyl]diazinane-3-carboxamide
SMILESCC(N)C(=O)N1CCCC(C(=O)NC(C)c2ccc3ccc(Br)cc3n2)N1
InChIInChI=1S/C19H24BrN5O2/c1-11(21)19(27)25-9-3-4-16(24-25)18(26)22-12(2)15-8-6-13-5-7-14(20)10-17(13)23-15/h5-8,10-12,16,24H,3-4,9,21H2,1-2H3,(H,22,26)
InChIKeyUZXNRNBTTQIIRU-UHFFFAOYSA-N
MW434.34 g/mol
LogP2.02
Rot. Bonds4

About 1-(2-aminopropanoyl)-N-[1-(7-bromoquinolin-2-yl)ethyl]diazinane-3-carboxamide

1-(2-aminopropanoyl)-N-[1-(7-bromoquinolin-2-yl)ethyl]diazinane-3-carboxamide (PubChem CID 123235030) has the molecular formula C19H24BrN5O2 and a molecular weight of 434.34 g/mol. Its IUPAC name is 1-(2-aminopropanoyl)-N-[1-(7-bromoquinolin-2-yl)ethyl]diazinane-3-carboxamide.

Molecular Properties

Compound Name1-(2-aminopropanoyl)-N-[1-(7-bromoquinolin-2-yl)ethyl]diazinane-3-carboxamide
PubChem CID123235030
Molecular FormulaC19H24BrN5O2
Molecular Weight434.34 g/mol
Exact Mass433.11
IUPAC Name1-(2-aminopropanoyl)-N-[1-(7-bromoquinolin-2-yl)ethyl]diazinane-3-carboxamide
SMILESCC(N)C(=O)N1CCCC(C(=O)NC(C)c2ccc3ccc(Br)cc3n2)N1
InChIInChI=1S/C19H24BrN5O2/c1-11(21)19(27)25-9-3-4-16(24-25)18(26)22-12(2)15-8-6-13-5-7-14(20)10-17(13)23-15/h5-8,10-12,16,24H,3-4,9,21H2,1-2H3,(H,22,26)
InChIKeyUZXNRNBTTQIIRU-UHFFFAOYSA-N
XLogP2.02
TPSA100.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.34
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-[(1R)-1-(7-bromoquinolin-2-yl)ethyl]-1-[(2S)-2-[[(2S)-2-cyclobutyl-2-hydroxyacetyl]amino]propanoyl]diazinane-3-carboxamide
CID 86706103
N-[(1R)-1-(7-bromoquinolin-2-yl)ethyl]-1-[(2S)-2-[[2-(3-ethenyl-3-methyl-2-oxopyrrolidin-1-yl)-3-methylbutanoyl]amino]propanoyl]diazinane-3-carboxamide
CID 126630276
(3S)-N-[(1R)-1-(7-bromoquinolin-2-yl)ethyl]-1-[(2S)-2-[[2-[[2-(2-hydroxyethyl)-2-methylbut-3-enoyl]amino]-3-methylbutanoyl]amino]propanoyl]diazinane-3-carboxamide
CID 138507279
(2S)-N-[(2S)-1-[(3S)-3-[[(7-bromoquinolin-2-yl)-methylamino]carbamoyl]diazinan-1-yl]-1-oxopropan-2-yl]-2-hydroxy-3-methylbutanamide
CID 170386968
(E)-4-[2-[(1R)-1-[[(3S)-1-[2-[(2-hydroxy-3-methylbutanoyl)amino]propanoyl]diazinane-3-carbonyl]amino]ethyl]quinolin-7-yl]-2,2-dimethylbut-3-enoic acid
CID 163645019
(3S)-N-[(1R)-1-(7-bromoquinolin-2-yl)ethyl]-1-[(2S)-2-[[(2S)-2-[[2-(2-hydroxyethyl)-2-methylbut-3-enoyl]amino]-3-methylbutanoyl]amino]propanoyl]diazinane-3-carboxamide;tert-butyl N-[(2S)-1-[(3S)-3-[[(1R)-1-(7-bromoquinolin-2-yl)ethyl]carbamoyl]diazinan-1-yl]-1-oxopropan-2-yl]carbamate;(2S)-5-(2-hydroxyethyl)-5-methyl-4-oxo-2-propan-2-ylhept-6-enoic acid
CID 160675979
(E)-4-[2-[(1R)-1-[[1-[2-(2-hydroxybutanoylamino)propanoyl]diazinane-3-carbonyl]amino]ethyl]quinolin-7-yl]-2,2-dimethylbut-3-enoic acid
CID 134235198
methyl (E)-4-[2-[(1R)-1-[[(3S)-1-[(2S)-2-[[(2S)-2-hydroxy-3-methylbutanoyl]amino]propanoyl]diazinane-3-carbonyl]amino]ethyl]quinolin-7-yl]-2,2-dimethylbut-3-enoate
CID 118175674
6-[(E)-2-[2-[(1R)-1-[[(3S)-1-[(2S)-2-[[(2S)-2-hydroxy-3-methylbutanoyl]amino]propanoyl]diazinane-3-carbonyl]amino]ethyl]quinolin-7-yl]ethenyl]-1,4-dioxepane-6-carboxylic acid
CID 86706121
5-[(E)-2-[2-[(1R)-1-[[(3S)-1-[(2S)-2-[[(2S)-2-hydroxy-3-methylbutanoyl]amino]propanoyl]diazinane-3-carbonyl]amino]ethyl]quinolin-7-yl]ethenyl]-1,3-dioxane-5-carboxylic acid
CID 86706086
2-[(E)-2-[2-[(1R)-1-[[(3S)-1-[(2S)-2-[[(2S)-2-hydroxy-3-methylbutanoyl]amino]propanoyl]diazinane-3-carbonyl]amino]ethyl]quinolin-7-yl]ethenyl]-5,5-dimethyl-1,4-dioxane-2-carboxylic acid
CID 86706171
tert-butyl N-[1-[2-[[(1R)-1-(7-bromoquinolin-2-yl)ethyl]amino]-1-methyl-4,5-diazaspiro[2.5]oct-1-en-5-yl]-1-oxopropan-2-yl]carbamate
CID 134235286

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminopropanoyl)-N-[1-(7-bromoquinolin-2-yl)ethyl]diazinane-3-carboxamide?
The IUPAC name of 1-(2-aminopropanoyl)-N-[1-(7-bromoquinolin-2-yl)ethyl]diazinane-3-carboxamide (CID 123235030) is 1-(2-aminopropanoyl)-N-[1-(7-bromoquinolin-2-yl)ethyl]diazinane-3-carboxamide.
What is the SMILES notation for 1-(2-aminopropanoyl)-N-[1-(7-bromoquinolin-2-yl)ethyl]diazinane-3-carboxamide?
The canonical SMILES for 1-(2-aminopropanoyl)-N-[1-(7-bromoquinolin-2-yl)ethyl]diazinane-3-carboxamide is CC(N)C(=O)N1CCCC(C(=O)NC(C)c2ccc3ccc(Br)cc3n2)N1.
What is the InChIKey of 1-(2-aminopropanoyl)-N-[1-(7-bromoquinolin-2-yl)ethyl]diazinane-3-carboxamide?
The InChIKey is UZXNRNBTTQIIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN5O2/c1-11(21)19(27)25-9-3-4-16(24-25)18(26)22-12(2)15-8-6-13-5-7-14(20)10-17(13)23-15/h5-8,10-12,16,24H,3-4,9,21H2,1-2H3,(H,22,26).
What are the key properties of 1-(2-aminopropanoyl)-N-[1-(7-bromoquinolin-2-yl)ethyl]diazinane-3-carboxamide?
1-(2-aminopropanoyl)-N-[1-(7-bromoquinolin-2-yl)ethyl]diazinane-3-carboxamide has a molecular weight of 434.34 g/mol, XLogP of 2.02, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminopropanoyl)-N-[1-(7-bromoquinolin-2-yl)ethyl]diazinane-3-carboxamide is sourced from PubChem (CID 123235030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).