N-(3-bromophenyl)-2-methylquinolin-4-amine;N-[3-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]phenyl]-2-methylquinolin-4-amine;(2-formylphenyl)boronic acid;2-[3-[(2-methylquinolin-4-yl)amino]phenyl]benzaldehyde

C78H67BBrN7O4 — CID 161326429

IUPACN-(3-bromophenyl)-2-methylquinolin-4-amine;N-[3-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]phenyl]-2-methylquinolin-4-amine;(2-formylphenyl)boronic acid;2-[3-[(2-methylquinolin-4-yl)amino]phenyl]benzaldehyde
SMILESCc1cc(Nc2cccc(-c3ccccc3C=O)c2)c2ccccc2n1.Cc1cc(Nc2cccc(-c3ccccc3CN3CCc4ccccc4C3)c2)c2ccccc2n1.Cc1cc(Nc2cccc(Br)c2)c2ccccc2n1.O=Cc1ccccc1B(O)O
InChIInChI=1S/C32H29N3.C23H18N2O.C16H13BrN2.C7H7BO3/c1-23-19-32(30-15-6-7-16-31(30)33-23)34-28-13-8-12-25(20-28)29-14-5-4-11-27(29)22-35-18-17-24-9-2-3-10-26(24)21-35;1-16-13-23(21-11-4-5-12-22(21)24-16)25-19-9-6-8-17(14-19)20-10-3-2-7-18(20)15-26;1-11-9-16(14-7-2-3-8-15(14)18-11)19-13-6-4-5-12(17)10-13;9-5-6-3-1-2-4-7(6)8(10)11/h2-16,19-20H,17-18,21-22H2,1H3,(H,33,34);2-15H,1H3,(H,24,25);2-10H,1H3,(H,18,19);1-5,10-11H
InChIKeyVKVHURKRLODGRI-UHFFFAOYSA-N
MW1257.15 g/mol
LogP17.51
Rot. Bonds13

About N-(3-bromophenyl)-2-methylquinolin-4-amine;N-[3-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]phenyl]-2-methylquinolin-4-amine;(2-formylphenyl)boronic acid;2-[3-[(2-methylquinolin-4-yl)amino]phenyl]benzaldehyde

N-(3-bromophenyl)-2-methylquinolin-4-amine;N-[3-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]phenyl]-2-methylquinolin-4-amine;(2-formylphenyl)boronic acid;2-[3-[(2-methylquinolin-4-yl)amino]phenyl]benzaldehyde (PubChem CID 161326429) has the molecular formula C78H67BBrN7O4 and a molecular weight of 1257.15 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-methylquinolin-4-amine;N-[3-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]phenyl]-2-methylquinolin-4-amine;(2-formylphenyl)boronic acid;2-[3-[(2-methylquinolin-4-yl)amino]phenyl]benzaldehyde.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-methylquinolin-4-amine;N-[3-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]phenyl]-2-methylquinolin-4-amine;(2-formylphenyl)boronic acid;2-[3-[(2-methylquinolin-4-yl)amino]phenyl]benzaldehyde
PubChem CID161326429
Molecular FormulaC78H67BBrN7O4
Molecular Weight1257.15 g/mol
Exact Mass1255.45
IUPAC NameN-(3-bromophenyl)-2-methylquinolin-4-amine;N-[3-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]phenyl]-2-methylquinolin-4-amine;(2-formylphenyl)boronic acid;2-[3-[(2-methylquinolin-4-yl)amino]phenyl]benzaldehyde
SMILESCc1cc(Nc2cccc(-c3ccccc3C=O)c2)c2ccccc2n1.Cc1cc(Nc2cccc(-c3ccccc3CN3CCc4ccccc4C3)c2)c2ccccc2n1.Cc1cc(Nc2cccc(Br)c2)c2ccccc2n1.O=Cc1ccccc1B(O)O
InChIInChI=1S/C32H29N3.C23H18N2O.C16H13BrN2.C7H7BO3/c1-23-19-32(30-15-6-7-16-31(30)33-23)34-28-13-8-12-25(20-28)29-14-5-4-11-27(29)22-35-18-17-24-9-2-3-10-26(24)21-35;1-16-13-23(21-11-4-5-12-22(21)24-16)25-19-9-6-8-17(14-19)20-10-3-2-7-18(20)15-26;1-11-9-16(14-7-2-3-8-15(14)18-11)19-13-6-4-5-12(17)10-13;9-5-6-3-1-2-4-7(6)8(10)11/h2-16,19-20H,17-18,21-22H2,1H3,(H,33,34);2-15H,1H3,(H,24,25);2-10H,1H3,(H,18,19);1-5,10-11H
InChIKeyVKVHURKRLODGRI-UHFFFAOYSA-N
XLogP17.51
TPSA152.60 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds13
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001257.15
LogP ≤ 517.51
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze N-(3-bromophenyl)-2-methylquinolin-4-amine;N-[3-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]phenyl]-2-methylquinolin-4-amine;(2-formylphenyl)boronic acid;2-[3-[(2-methylquinolin-4-yl)amino]phenyl]benzaldehyde with MolForge

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Related Compounds

N,N-diethyl-1-[(2-phenylquinolin-4-yl)methyl]piperidin-4-amine;N,N-diethylpiperidin-4-amine;2-phenylquinoline-4-carbaldehyde
CID 157056408
N-(3-bromophenyl)-2-methylquinolin-4-amine;N-[3-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]phenyl]-2-methylquinolin-4-amine;N-[3-(2-methoxyphenyl)phenyl]-2-methylquinolin-4-amine;2-oxoboranylbenzaldehyde
CID 157777560
3-bromoaniline;N-(3-bromophenyl)-2-methylquinolin-4-amine;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]phenyl]-2-methylquinolin-4-amine;(3-formylphenyl)boronic acid;3-[3-[(2-methylquinolin-4-yl)amino]phenyl]benzaldehyde;1,2,3,4-tetrahydroisoquinoline
CID 159208677
N-(3-bromophenyl)-2-methylquinolin-4-amine;N-[3-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]phenyl]-2-methylquinolin-4-amine;(2-formylphenyl)boronic acid;N-[3-(2-methoxyphenyl)phenyl]-2-methylquinolin-4-amine
CID 162107711
5-(4-bromophenyl)-3-phenylbenzo[i][1,9]phenanthroline;7-bromo-2-phenylquinoline;4-bromo-N-[2-(2-phenylquinolin-7-yl)phenyl]benzamide;1-phenylethanone;2-(2-phenylquinolin-7-yl)aniline;3-phenyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[i][1,9]phenanthroline;2-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
CID 165048993

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-methylquinolin-4-amine;N-[3-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]phenyl]-2-methylquinolin-4-amine;(2-formylphenyl)boronic acid;2-[3-[(2-methylquinolin-4-yl)amino]phenyl]benzaldehyde?
The IUPAC name of N-(3-bromophenyl)-2-methylquinolin-4-amine;N-[3-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]phenyl]-2-methylquinolin-4-amine;(2-formylphenyl)boronic acid;2-[3-[(2-methylquinolin-4-yl)amino]phenyl]benzaldehyde (CID 161326429) is N-(3-bromophenyl)-2-methylquinolin-4-amine;N-[3-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]phenyl]-2-methylquinolin-4-amine;(2-formylphenyl)boronic acid;2-[3-[(2-methylquinolin-4-yl)amino]phenyl]benzaldehyde.
What is the SMILES notation for N-(3-bromophenyl)-2-methylquinolin-4-amine;N-[3-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]phenyl]-2-methylquinolin-4-amine;(2-formylphenyl)boronic acid;2-[3-[(2-methylquinolin-4-yl)amino]phenyl]benzaldehyde?
The canonical SMILES for N-(3-bromophenyl)-2-methylquinolin-4-amine;N-[3-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]phenyl]-2-methylquinolin-4-amine;(2-formylphenyl)boronic acid;2-[3-[(2-methylquinolin-4-yl)amino]phenyl]benzaldehyde is Cc1cc(Nc2cccc(-c3ccccc3C=O)c2)c2ccccc2n1.Cc1cc(Nc2cccc(-c3ccccc3CN3CCc4ccccc4C3)c2)c2ccccc2n1.Cc1cc(Nc2cccc(Br)c2)c2ccccc2n1.O=Cc1ccccc1B(O)O.
What is the InChIKey of N-(3-bromophenyl)-2-methylquinolin-4-amine;N-[3-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]phenyl]-2-methylquinolin-4-amine;(2-formylphenyl)boronic acid;2-[3-[(2-methylquinolin-4-yl)amino]phenyl]benzaldehyde?
The InChIKey is VKVHURKRLODGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29N3.C23H18N2O.C16H13BrN2.C7H7BO3/c1-23-19-32(30-15-6-7-16-31(30)33-23)34-28-13-8-12-25(20-28)29-14-5-4-11-27(29)22-35-18-17-24-9-2-3-10-26(24)21-35;1-16-13-23(21-11-4-5-12-22(21)24-16)25-19-9-6-8-17(14-19)20-10-3-2-7-18(20)15-26;1-11-9-16(14-7-2-3-8-15(14)18-11)19-13-6-4-5-12(17)10-13;9-5-6-3-1-2-4-7(6)8(10)11/h2-16,19-20H,17-18,21-22H2,1H3,(H,33,34);2-15H,1H3,(H,24,25);2-10H,1H3,(H,18,19);1-5,10-11H.
What are the key properties of N-(3-bromophenyl)-2-methylquinolin-4-amine;N-[3-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]phenyl]-2-methylquinolin-4-amine;(2-formylphenyl)boronic acid;2-[3-[(2-methylquinolin-4-yl)amino]phenyl]benzaldehyde?
N-(3-bromophenyl)-2-methylquinolin-4-amine;N-[3-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]phenyl]-2-methylquinolin-4-amine;(2-formylphenyl)boronic acid;2-[3-[(2-methylquinolin-4-yl)amino]phenyl]benzaldehyde has a molecular weight of 1257.15 g/mol, XLogP of 17.51, 13 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-methylquinolin-4-amine;N-[3-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]phenyl]-2-methylquinolin-4-amine;(2-formylphenyl)boronic acid;2-[3-[(2-methylquinolin-4-yl)amino]phenyl]benzaldehyde is sourced from PubChem (CID 161326429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).