6-bromo-2-methyl-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]quinoline-4-carboxamide

C22H17BrN4O2 — CID 60622514

IUPAC6-bromo-2-methyl-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]quinoline-4-carboxamide
SMILESCc1cc(C(=O)NCC(=O)Nc2cccc3cccnc23)c2cc(Br)ccc2n1
InChIInChI=1S/C22H17BrN4O2/c1-13-10-17(16-11-15(23)7-8-18(16)26-13)22(29)25-12-20(28)27-19-6-2-4-14-5-3-9-24-21(14)19/h2-11H,12H2,1H3,(H,25,29)(H,27,28)
InChIKeyIRKUGQMIAKRNPI-UHFFFAOYSA-N
MW449.31 g/mol
LogP4.22
Rot. Bonds4

About 6-bromo-2-methyl-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]quinoline-4-carboxamide

6-bromo-2-methyl-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]quinoline-4-carboxamide (PubChem CID 60622514) has the molecular formula C22H17BrN4O2 and a molecular weight of 449.31 g/mol. Its IUPAC name is 6-bromo-2-methyl-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name6-bromo-2-methyl-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]quinoline-4-carboxamide
PubChem CID60622514
Molecular FormulaC22H17BrN4O2
Molecular Weight449.31 g/mol
Exact Mass448.05
IUPAC Name6-bromo-2-methyl-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]quinoline-4-carboxamide
SMILESCc1cc(C(=O)NCC(=O)Nc2cccc3cccnc23)c2cc(Br)ccc2n1
InChIInChI=1S/C22H17BrN4O2/c1-13-10-17(16-11-15(23)7-8-18(16)26-13)22(29)25-12-20(28)27-19-6-2-4-14-5-3-9-24-21(14)19/h2-11H,12H2,1H3,(H,25,29)(H,27,28)
InChIKeyIRKUGQMIAKRNPI-UHFFFAOYSA-N
XLogP4.22
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.31
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]benzamide
CID 78785378
6-bromo-N-(2-methoxyethyl)-2-methylquinoline-4-carboxamide
CID 46291474
5-bromo-3-methyl-N-quinolin-8-yl-1-benzofuran-2-carboxamide
CID 9405214
N-[2-(2,3-dimethylanilino)-2-oxoethyl]quinoline-8-carboxamide
CID 24681832
2,2-dimethyl-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]propanamide
CID 17424107
3,4-difluoro-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]benzamide
CID 113000714
2-[(3-acetylphenyl)carbamoylamino]-N-quinolin-8-ylacetamide
CID 52842232
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-methylquinoline-4-carboxamide
CID 4786592
5-bromo-2-fluoro-N-quinolin-8-ylbenzamide
CID 24710942
2-(2-methoxyethylamino)-N-quinolin-8-ylacetamide
CID 79282594
4-amino-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]pentanamide;dihydrochloride
CID 120565209
2-[(3-bromophenyl)methylsulfanyl]-N-quinolin-8-ylacetamide
CID 1381063

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-methyl-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]quinoline-4-carboxamide?
The IUPAC name of 6-bromo-2-methyl-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]quinoline-4-carboxamide (CID 60622514) is 6-bromo-2-methyl-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]quinoline-4-carboxamide.
What is the SMILES notation for 6-bromo-2-methyl-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]quinoline-4-carboxamide?
The canonical SMILES for 6-bromo-2-methyl-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]quinoline-4-carboxamide is Cc1cc(C(=O)NCC(=O)Nc2cccc3cccnc23)c2cc(Br)ccc2n1.
What is the InChIKey of 6-bromo-2-methyl-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]quinoline-4-carboxamide?
The InChIKey is IRKUGQMIAKRNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17BrN4O2/c1-13-10-17(16-11-15(23)7-8-18(16)26-13)22(29)25-12-20(28)27-19-6-2-4-14-5-3-9-24-21(14)19/h2-11H,12H2,1H3,(H,25,29)(H,27,28).
What are the key properties of 6-bromo-2-methyl-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]quinoline-4-carboxamide?
6-bromo-2-methyl-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]quinoline-4-carboxamide has a molecular weight of 449.31 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-methyl-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]quinoline-4-carboxamide is sourced from PubChem (CID 60622514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).