N-(3-bromoquinolin-8-yl)-3-(propan-2-ylamino)propanamide

C15H18BrN3O — CID 116784420

IUPACN-(3-bromoquinolin-8-yl)-3-(propan-2-ylamino)propanamide
SMILESCC(C)NCCC(=O)Nc1cccc2cc(Br)cnc12
InChIInChI=1S/C15H18BrN3O/c1-10(2)17-7-6-14(20)19-13-5-3-4-11-8-12(16)9-18-15(11)13/h3-5,8-10,17H,6-7H2,1-2H3,(H,19,20)
InChIKeyDSACTXBOIWAYGL-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.32
Rot. Bonds5

About N-(3-bromoquinolin-8-yl)-3-(propan-2-ylamino)propanamide

N-(3-bromoquinolin-8-yl)-3-(propan-2-ylamino)propanamide (PubChem CID 116784420) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is N-(3-bromoquinolin-8-yl)-3-(propan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-(3-bromoquinolin-8-yl)-3-(propan-2-ylamino)propanamide
PubChem CID116784420
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC NameN-(3-bromoquinolin-8-yl)-3-(propan-2-ylamino)propanamide
SMILESCC(C)NCCC(=O)Nc1cccc2cc(Br)cnc12
InChIInChI=1S/C15H18BrN3O/c1-10(2)17-7-6-14(20)19-13-5-3-4-11-8-12(16)9-18-15(11)13/h3-5,8-10,17H,6-7H2,1-2H3,(H,19,20)
InChIKeyDSACTXBOIWAYGL-UHFFFAOYSA-N
XLogP3.32
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(3-bromoquinolin-8-yl)-3-methylbutanamide
CID 116784378
N-(2-methylquinolin-8-yl)-3-(propan-2-ylamino)propanamide
CID 62954985
N-(3-bromoquinolin-8-yl)-2-(prop-2-ynylamino)acetamide
CID 116784396
N-(3-bromoquinolin-8-yl)-2-cyano-3-methylbutanamide
CID 116784504
N-(3-bromoquinolin-8-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 116784789
N-(3-bromoquinolin-8-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103208586
N-(3-bromoquinolin-8-yl)-2-carbamothioyl-3-methylbutanamide
CID 116784582
4-bromo-N-(3-bromoquinolin-8-yl)benzamide
CID 116784626
N-(3-bromoquinolin-8-yl)-2-piperidin-3-ylacetamide
CID 116784337
N-(5-bromo-2-methylphenyl)-3-(propan-2-ylamino)propanamide
CID 60852007
N-(6-bromo-2-pyridinyl)-3-(propan-2-ylamino)propanamide
CID 130299737
N-(3-bromoquinolin-8-yl)-2-(tetrazol-1-yl)acetamide
CID 116784723

Frequently Asked Questions

What is the IUPAC name of N-(3-bromoquinolin-8-yl)-3-(propan-2-ylamino)propanamide?
The IUPAC name of N-(3-bromoquinolin-8-yl)-3-(propan-2-ylamino)propanamide (CID 116784420) is N-(3-bromoquinolin-8-yl)-3-(propan-2-ylamino)propanamide.
What is the SMILES notation for N-(3-bromoquinolin-8-yl)-3-(propan-2-ylamino)propanamide?
The canonical SMILES for N-(3-bromoquinolin-8-yl)-3-(propan-2-ylamino)propanamide is CC(C)NCCC(=O)Nc1cccc2cc(Br)cnc12.
What is the InChIKey of N-(3-bromoquinolin-8-yl)-3-(propan-2-ylamino)propanamide?
The InChIKey is DSACTXBOIWAYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-10(2)17-7-6-14(20)19-13-5-3-4-11-8-12(16)9-18-15(11)13/h3-5,8-10,17H,6-7H2,1-2H3,(H,19,20).
What are the key properties of N-(3-bromoquinolin-8-yl)-3-(propan-2-ylamino)propanamide?
N-(3-bromoquinolin-8-yl)-3-(propan-2-ylamino)propanamide has a molecular weight of 336.23 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromoquinolin-8-yl)-3-(propan-2-ylamino)propanamide is sourced from PubChem (CID 116784420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).