N-(1-aminohexan-2-yl)-8-bromo-2-oxo-1H-quinoline-4-carboxamide

C16H20BrN3O2 — CID 119668885

IUPACN-(1-aminohexan-2-yl)-8-bromo-2-oxo-1H-quinoline-4-carboxamide
SMILESCCCCC(CN)NC(=O)c1cc(=O)[nH]c2c(Br)cccc12
InChIInChI=1S/C16H20BrN3O2/c1-2-3-5-10(9-18)19-16(22)12-8-14(21)20-15-11(12)6-4-7-13(15)17/h4,6-8,10H,2-3,5,9,18H2,1H3,(H,19,22)(H,20,21)
InChIKeyBWEZGWKIPVFUFS-UHFFFAOYSA-N
MW366.26 g/mol
LogP2.54
Rot. Bonds6

About N-(1-aminohexan-2-yl)-8-bromo-2-oxo-1H-quinoline-4-carboxamide

N-(1-aminohexan-2-yl)-8-bromo-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 119668885) has the molecular formula C16H20BrN3O2 and a molecular weight of 366.26 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-8-bromo-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-8-bromo-2-oxo-1H-quinoline-4-carboxamide
PubChem CID119668885
Molecular FormulaC16H20BrN3O2
Molecular Weight366.26 g/mol
Exact Mass365.07
IUPAC NameN-(1-aminohexan-2-yl)-8-bromo-2-oxo-1H-quinoline-4-carboxamide
SMILESCCCCC(CN)NC(=O)c1cc(=O)[nH]c2c(Br)cccc12
InChIInChI=1S/C16H20BrN3O2/c1-2-3-5-10(9-18)19-16(22)12-8-14(21)20-15-11(12)6-4-7-13(15)17/h4,6-8,10H,2-3,5,9,18H2,1H3,(H,19,22)(H,20,21)
InChIKeyBWEZGWKIPVFUFS-UHFFFAOYSA-N
XLogP2.54
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.26
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-8-bromo-2-oxo-1H-quinoline-4-carboxamide
CID 119617909
N-(3-amino-2-methylpropyl)-8-bromo-2-oxo-1H-quinoline-4-carboxamide
CID 119995371
N-(2-amino-1-cyclopropylethyl)-8-bromo-2-oxo-1H-quinoline-4-carboxamide;hydrochloride
CID 119617908
N-(1-aminohexan-2-yl)-2-bromo-5-methylbenzamide
CID 81112560
2-amino-N-(1-aminohexan-2-yl)benzamide
CID 122080973
N-(1-aminopentan-2-yl)-3-bromo-2-fluorobenzamide
CID 107956167
N-(1-amino-4-methylpentan-2-yl)-2-oxo-1H-quinoline-4-carboxamide
CID 63887542
N-(1-aminohexan-2-yl)-2-methyl-1H-pyrrole-3-carboxamide
CID 119668324
N-butan-2-yl-8-methyl-2-oxo-1H-quinoline-4-carboxamide
CID 53016620
N-(1-aminohexan-2-yl)-3-methyl-2-nitrobenzamide
CID 80696935
N-(1-aminopentan-2-yl)naphthalene-1-carboxamide
CID 65191426
3-N-(1-aminohexan-2-yl)benzene-1,3-dicarboxamide;hydrochloride
CID 119667555

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-8-bromo-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of N-(1-aminohexan-2-yl)-8-bromo-2-oxo-1H-quinoline-4-carboxamide (CID 119668885) is N-(1-aminohexan-2-yl)-8-bromo-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-(1-aminohexan-2-yl)-8-bromo-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for N-(1-aminohexan-2-yl)-8-bromo-2-oxo-1H-quinoline-4-carboxamide is CCCCC(CN)NC(=O)c1cc(=O)[nH]c2c(Br)cccc12.
What is the InChIKey of N-(1-aminohexan-2-yl)-8-bromo-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is BWEZGWKIPVFUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O2/c1-2-3-5-10(9-18)19-16(22)12-8-14(21)20-15-11(12)6-4-7-13(15)17/h4,6-8,10H,2-3,5,9,18H2,1H3,(H,19,22)(H,20,21).
What are the key properties of N-(1-aminohexan-2-yl)-8-bromo-2-oxo-1H-quinoline-4-carboxamide?
N-(1-aminohexan-2-yl)-8-bromo-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 366.26 g/mol, XLogP of 2.54, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-8-bromo-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 119668885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).