N-(3-amino-2-methylpropyl)-8-bromo-2-oxo-1H-quinoline-4-carboxamide

C14H16BrN3O2 — CID 119995371

IUPACN-(3-amino-2-methylpropyl)-8-bromo-2-oxo-1H-quinoline-4-carboxamide
SMILESCC(CN)CNC(=O)c1cc(=O)[nH]c2c(Br)cccc12
InChIInChI=1S/C14H16BrN3O2/c1-8(6-16)7-17-14(20)10-5-12(19)18-13-9(10)3-2-4-11(13)15/h2-5,8H,6-7,16H2,1H3,(H,17,20)(H,18,19)
InChIKeyJRZMTNDDIMADQC-UHFFFAOYSA-N
MW338.21 g/mol
LogP1.62
Rot. Bonds4

About N-(3-amino-2-methylpropyl)-8-bromo-2-oxo-1H-quinoline-4-carboxamide

N-(3-amino-2-methylpropyl)-8-bromo-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 119995371) has the molecular formula C14H16BrN3O2 and a molecular weight of 338.21 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-8-bromo-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-8-bromo-2-oxo-1H-quinoline-4-carboxamide
PubChem CID119995371
Molecular FormulaC14H16BrN3O2
Molecular Weight338.21 g/mol
Exact Mass337.04
IUPAC NameN-(3-amino-2-methylpropyl)-8-bromo-2-oxo-1H-quinoline-4-carboxamide
SMILESCC(CN)CNC(=O)c1cc(=O)[nH]c2c(Br)cccc12
InChIInChI=1S/C14H16BrN3O2/c1-8(6-16)7-17-14(20)10-5-12(19)18-13-9(10)3-2-4-11(13)15/h2-5,8H,6-7,16H2,1H3,(H,17,20)(H,18,19)
InChIKeyJRZMTNDDIMADQC-UHFFFAOYSA-N
XLogP1.62
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2-methylpropyl)-8-bromo-2-oxo-1H-quinoline-4-carboxamide;hydrochloride
CID 119995370
N-(1-aminohexan-2-yl)-8-bromo-2-oxo-1H-quinoline-4-carboxamide
CID 119668885
N-(2-amino-1-cyclopropylethyl)-8-bromo-2-oxo-1H-quinoline-4-carboxamide;hydrochloride
CID 119617908
N-(3-amino-2-methylpropyl)-2-bromo-5-fluorobenzamide
CID 119997831
N-ethyl-8-methyl-2-oxo-1H-quinoline-4-carboxamide
CID 53016604
N-(3-amino-2-methylpropyl)-2-bromo-5-methoxybenzamide
CID 119996618
8-bromo-N-methyl-2-oxo-N-piperidin-4-yl-1H-quinoline-4-carboxamide;hydrochloride
CID 119444645
N-(3-amino-2-methylpropyl)-1-benzothiophene-3-carboxamide
CID 115271656
N-(3-amino-2-methylpropyl)-2-methylbenzamide
CID 62666683
8-bromo-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]-2-oxo-1H-quinoline-4-carboxamide
CID 166381397
N-(3-amino-2-methylpropyl)-2-methoxy-3,5-dimethylbenzamide
CID 115271616
N-(3-amino-2-methylpropyl)-5-bromo-2-(dimethylamino)pyridine-3-carboxamide
CID 119998007

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-8-bromo-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-8-bromo-2-oxo-1H-quinoline-4-carboxamide (CID 119995371) is N-(3-amino-2-methylpropyl)-8-bromo-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-8-bromo-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-8-bromo-2-oxo-1H-quinoline-4-carboxamide is CC(CN)CNC(=O)c1cc(=O)[nH]c2c(Br)cccc12.
What is the InChIKey of N-(3-amino-2-methylpropyl)-8-bromo-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is JRZMTNDDIMADQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O2/c1-8(6-16)7-17-14(20)10-5-12(19)18-13-9(10)3-2-4-11(13)15/h2-5,8H,6-7,16H2,1H3,(H,17,20)(H,18,19).
What are the key properties of N-(3-amino-2-methylpropyl)-8-bromo-2-oxo-1H-quinoline-4-carboxamide?
N-(3-amino-2-methylpropyl)-8-bromo-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 338.21 g/mol, XLogP of 1.62, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-8-bromo-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 119995371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).