2-(3-bromophenyl)-N-[2-[[2-(3-bromophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide

C34H24Br2N4O2 — CID 4603852

IUPAC2-(3-bromophenyl)-N-[2-[[2-(3-bromophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
SMILESO=C(NCCNC(=O)c1cc(-c2cccc(Br)c2)nc2ccccc12)c1cc(-c2cccc(Br)c2)nc2ccccc12
InChIInChI=1S/C34H24Br2N4O2/c35-23-9-5-7-21(17-23)31-19-27(25-11-1-3-13-29(25)39-31)33(41)37-15-16-38-34(42)28-20-32(22-8-6-10-24(36)18-22)40-30-14-4-2-12-26(28)30/h1-14,17-20H,15-16H2,(H,37,41)(H,38,42)
InChIKeyYCENNSMCXDTIGX-UHFFFAOYSA-N
MW680.40 g/mol
LogP7.80
Rot. Bonds7

About 2-(3-bromophenyl)-N-[2-[[2-(3-bromophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide

2-(3-bromophenyl)-N-[2-[[2-(3-bromophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide (PubChem CID 4603852) has the molecular formula C34H24Br2N4O2 and a molecular weight of 680.40 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-[2-[[2-(3-bromophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-[2-[[2-(3-bromophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
PubChem CID4603852
Molecular FormulaC34H24Br2N4O2
Molecular Weight680.40 g/mol
Exact Mass678.03
IUPAC Name2-(3-bromophenyl)-N-[2-[[2-(3-bromophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
SMILESO=C(NCCNC(=O)c1cc(-c2cccc(Br)c2)nc2ccccc12)c1cc(-c2cccc(Br)c2)nc2ccccc12
InChIInChI=1S/C34H24Br2N4O2/c35-23-9-5-7-21(17-23)31-19-27(25-11-1-3-13-29(25)39-31)33(41)37-15-16-38-34(42)28-20-32(22-8-6-10-24(36)18-22)40-30-14-4-2-12-26(28)30/h1-14,17-20H,15-16H2,(H,37,41)(H,38,42)
InChIKeyYCENNSMCXDTIGX-UHFFFAOYSA-N
XLogP7.80
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.40
LogP ≤ 57.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-bromophenyl)-N-[8-[[2-(3-bromophenyl)quinoline-4-carbonyl]amino]octyl]quinoline-4-carboxamide
CID 4132785
2-(3-bromophenyl)-N-[2-(dimethylamino)ethyl]quinoline-4-carboxamide
CID 2367409
2-(3-bromophenyl)-N-decylquinoline-4-carboxamide
CID 5227536
2-(3-bromophenyl)-N-(cyclopropylmethyl)quinoline-4-carboxamide
CID 95756265
N-(2-acetamidoethyl)-2-phenylquinoline-4-carboxamide
CID 8991025
2-(3-bromophenyl)-N-(2,3,4,5,6-pentafluorophenyl)quinoline-4-carboxamide
CID 3535880
2-(3-methylphenyl)-N-[6-[[2-(3-methylphenyl)quinoline-4-carbonyl]amino]hexyl]quinoline-4-carboxamide
CID 4535019
2-(3-bromophenyl)-N'-(2-methylpropanoyl)quinoline-4-carbohydrazide
CID 26890699
2-(3-bromophenyl)-N-(3,5-dichlorophenyl)quinoline-4-carboxamide
CID 4278826
N-[2-[(2-methylbenzoyl)amino]ethyl]-2-phenylquinoline-4-carboxamide
CID 8991019
2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 5115230
N-(3-aminopropyl)-2-phenylquinoline-4-carboxamide
CID 162460245

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-[2-[[2-(3-bromophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide?
The IUPAC name of 2-(3-bromophenyl)-N-[2-[[2-(3-bromophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide (CID 4603852) is 2-(3-bromophenyl)-N-[2-[[2-(3-bromophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(3-bromophenyl)-N-[2-[[2-(3-bromophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(3-bromophenyl)-N-[2-[[2-(3-bromophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide is O=C(NCCNC(=O)c1cc(-c2cccc(Br)c2)nc2ccccc12)c1cc(-c2cccc(Br)c2)nc2ccccc12.
What is the InChIKey of 2-(3-bromophenyl)-N-[2-[[2-(3-bromophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide?
The InChIKey is YCENNSMCXDTIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24Br2N4O2/c35-23-9-5-7-21(17-23)31-19-27(25-11-1-3-13-29(25)39-31)33(41)37-15-16-38-34(42)28-20-32(22-8-6-10-24(36)18-22)40-30-14-4-2-12-26(28)30/h1-14,17-20H,15-16H2,(H,37,41)(H,38,42).
What are the key properties of 2-(3-bromophenyl)-N-[2-[[2-(3-bromophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide?
2-(3-bromophenyl)-N-[2-[[2-(3-bromophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide has a molecular weight of 680.40 g/mol, XLogP of 7.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-[2-[[2-(3-bromophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide is sourced from PubChem (CID 4603852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).