N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-2-methylquinoline-3-carboxamide

C19H12Br2N4O2 — CID 1381505

IUPACN-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-2-methylquinoline-3-carboxamide
SMILESCc1nc2ccccc2cc1C(=O)/N=N/c1c(O)[nH]c2c(Br)cc(Br)cc12
InChIInChI=1S/C19H12Br2N4O2/c1-9-12(6-10-4-2-3-5-15(10)22-9)18(26)25-24-17-13-7-11(20)8-14(21)16(13)23-19(17)27/h2-8,23,27H,1H3/b25-24+
InChIKeySTQZIUCFXXCINI-OCOZRVBESA-N
MW488.14 g/mol
LogP6.18
Rot. Bonds2

About N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-2-methylquinoline-3-carboxamide

N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-2-methylquinoline-3-carboxamide (PubChem CID 1381505) has the molecular formula C19H12Br2N4O2 and a molecular weight of 488.14 g/mol. Its IUPAC name is N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-2-methylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-2-methylquinoline-3-carboxamide
PubChem CID1381505
Molecular FormulaC19H12Br2N4O2
Molecular Weight488.14 g/mol
Exact Mass485.93
IUPAC NameN-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-2-methylquinoline-3-carboxamide
SMILESCc1nc2ccccc2cc1C(=O)/N=N/c1c(O)[nH]c2c(Br)cc(Br)cc12
InChIInChI=1S/C19H12Br2N4O2/c1-9-12(6-10-4-2-3-5-15(10)22-9)18(26)25-24-17-13-7-11(20)8-14(21)16(13)23-19(17)27/h2-8,23,27H,1H3/b25-24+
InChIKeySTQZIUCFXXCINI-OCOZRVBESA-N
XLogP6.18
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.14
LogP ≤ 56.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-2-methylquinoline-3-carboxamide?
The IUPAC name of N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-2-methylquinoline-3-carboxamide (CID 1381505) is N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-2-methylquinoline-3-carboxamide.
What is the SMILES notation for N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-2-methylquinoline-3-carboxamide?
The canonical SMILES for N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-2-methylquinoline-3-carboxamide is Cc1nc2ccccc2cc1C(=O)/N=N/c1c(O)[nH]c2c(Br)cc(Br)cc12.
What is the InChIKey of N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-2-methylquinoline-3-carboxamide?
The InChIKey is STQZIUCFXXCINI-OCOZRVBESA-N. The full InChI is InChI=1S/C19H12Br2N4O2/c1-9-12(6-10-4-2-3-5-15(10)22-9)18(26)25-24-17-13-7-11(20)8-14(21)16(13)23-19(17)27/h2-8,23,27H,1H3/b25-24+.
What are the key properties of N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-2-methylquinoline-3-carboxamide?
N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-2-methylquinoline-3-carboxamide has a molecular weight of 488.14 g/mol, XLogP of 6.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-2-methylquinoline-3-carboxamide is sourced from PubChem (CID 1381505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).