7-bromo-4-hydroxy-1-(2-methylpropyl)-N-(3-methyl-2-pyridinyl)-2-oxoquinoline-3-carboxamide

C20H20BrN3O3 — CID 166859992

IUPAC7-bromo-4-hydroxy-1-(2-methylpropyl)-N-(3-methyl-2-pyridinyl)-2-oxoquinoline-3-carboxamide
SMILESCc1cccnc1NC(=O)c1c(O)c2ccc(Br)cc2n(CC(C)C)c1=O
InChIInChI=1S/C20H20BrN3O3/c1-11(2)10-24-15-9-13(21)6-7-14(15)17(25)16(20(24)27)19(26)23-18-12(3)5-4-8-22-18/h4-9,11,25H,10H2,1-3H3,(H,22,23,26)
InChIKeyKBRCPJYDGVOYOB-UHFFFAOYSA-N
MW430.30 g/mol
LogP4.08
Rot. Bonds4

About 7-bromo-4-hydroxy-1-(2-methylpropyl)-N-(3-methyl-2-pyridinyl)-2-oxoquinoline-3-carboxamide

7-bromo-4-hydroxy-1-(2-methylpropyl)-N-(3-methyl-2-pyridinyl)-2-oxoquinoline-3-carboxamide (PubChem CID 166859992) has the molecular formula C20H20BrN3O3 and a molecular weight of 430.30 g/mol. Its IUPAC name is 7-bromo-4-hydroxy-1-(2-methylpropyl)-N-(3-methyl-2-pyridinyl)-2-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name7-bromo-4-hydroxy-1-(2-methylpropyl)-N-(3-methyl-2-pyridinyl)-2-oxoquinoline-3-carboxamide
PubChem CID166859992
Molecular FormulaC20H20BrN3O3
Molecular Weight430.30 g/mol
Exact Mass429.07
IUPAC Name7-bromo-4-hydroxy-1-(2-methylpropyl)-N-(3-methyl-2-pyridinyl)-2-oxoquinoline-3-carboxamide
SMILESCc1cccnc1NC(=O)c1c(O)c2ccc(Br)cc2n(CC(C)C)c1=O
InChIInChI=1S/C20H20BrN3O3/c1-11(2)10-24-15-9-13(21)6-7-14(15)17(25)16(20(24)27)19(26)23-18-12(3)5-4-8-22-18/h4-9,11,25H,10H2,1-3H3,(H,22,23,26)
InChIKeyKBRCPJYDGVOYOB-UHFFFAOYSA-N
XLogP4.08
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.30
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

CID 174078375
CID 174078375
1-butyl-4-hydroxy-N-(3-methyl-2-pyridinyl)-2-oxoquinoline-3-carboxamide
CID 54676094
4-hydroxy-1-(2-methylpropyl)-2-oxo-N-pyrimidin-2-ylquinoline-3-carboxamide
CID 54676093
6-bromo-N-(3-fluorophenyl)-4-hydroxy-1-(2-methylpropyl)-2-oxoquinoline-3-carboxamide
CID 163937820
5-bromo-2-methyl-N-(3-methyl-2-pyridinyl)benzamide
CID 65307070
4-hydroxy-1-(2-methylpropyl)-2-oxo-N-(pyridin-2-ylmethyl)quinoline-3-carboxamide
CID 54695771
N-(1H-benzimidazol-2-yl)-4-hydroxy-1-(2-methylpropyl)-2-oxoquinoline-3-carboxamide
CID 54676151
(2R)-2-hydroxy-N-(3-methyl-2-pyridinyl)propanamide
CID 130662699
4-hydroxy-2-oxo-1-propan-2-yl-N-pyridin-2-ylquinoline-3-carboxamide
CID 56606321
2-amino-N-(3-methyl-2-pyridinyl)propanamide
CID 60731979
1-methyl-N-(3-methyl-2-pyridinyl)-2-oxopyridine-4-carboxamide
CID 103610894
4-hydroxy-N-[3-(4-methylpiperazin-1-yl)phenyl]-1-(2-methylpropyl)-2-oxoquinoline-3-carboxamide
CID 163988927

Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-hydroxy-1-(2-methylpropyl)-N-(3-methyl-2-pyridinyl)-2-oxoquinoline-3-carboxamide?
The IUPAC name of 7-bromo-4-hydroxy-1-(2-methylpropyl)-N-(3-methyl-2-pyridinyl)-2-oxoquinoline-3-carboxamide (CID 166859992) is 7-bromo-4-hydroxy-1-(2-methylpropyl)-N-(3-methyl-2-pyridinyl)-2-oxoquinoline-3-carboxamide.
What is the SMILES notation for 7-bromo-4-hydroxy-1-(2-methylpropyl)-N-(3-methyl-2-pyridinyl)-2-oxoquinoline-3-carboxamide?
The canonical SMILES for 7-bromo-4-hydroxy-1-(2-methylpropyl)-N-(3-methyl-2-pyridinyl)-2-oxoquinoline-3-carboxamide is Cc1cccnc1NC(=O)c1c(O)c2ccc(Br)cc2n(CC(C)C)c1=O.
What is the InChIKey of 7-bromo-4-hydroxy-1-(2-methylpropyl)-N-(3-methyl-2-pyridinyl)-2-oxoquinoline-3-carboxamide?
The InChIKey is KBRCPJYDGVOYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrN3O3/c1-11(2)10-24-15-9-13(21)6-7-14(15)17(25)16(20(24)27)19(26)23-18-12(3)5-4-8-22-18/h4-9,11,25H,10H2,1-3H3,(H,22,23,26).
What are the key properties of 7-bromo-4-hydroxy-1-(2-methylpropyl)-N-(3-methyl-2-pyridinyl)-2-oxoquinoline-3-carboxamide?
7-bromo-4-hydroxy-1-(2-methylpropyl)-N-(3-methyl-2-pyridinyl)-2-oxoquinoline-3-carboxamide has a molecular weight of 430.30 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-hydroxy-1-(2-methylpropyl)-N-(3-methyl-2-pyridinyl)-2-oxoquinoline-3-carboxamide is sourced from PubChem (CID 166859992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).