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

C78H69BBrN7O4 — CID 162107711

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;N-[3-(2-methoxyphenyl)phenyl]-2-methylquinolin-4-amine
SMILESCOc1ccccc1-c1cccc(Nc2cc(C)nc3ccccc23)c1.Cc1cc(Nc2cccc(-c3ccccc3CN3CCc4ccccc4C3)c2)c2ccccc2n1.Cc1cc(Nc2cccc(Br)c2)c2ccccc2n1.O=Cc1ccccc1B(O)O
InChIInChI=1S/C32H29N3.C23H20N2O.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;1-16-14-22(20-11-3-5-12-21(20)24-16)25-18-9-7-8-17(15-18)19-10-4-6-13-23(19)26-2;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);3-15H,1-2H3,(H,24,25);2-10H,1H3,(H,18,19);1-5,10-11H
InChIKeyZFSOYWNIHHPTCP-UHFFFAOYSA-N
MW1259.17 g/mol
LogP17.70
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;N-[3-(2-methoxyphenyl)phenyl]-2-methylquinolin-4-amine

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 (PubChem CID 162107711) has the molecular formula C78H69BBrN7O4 and a molecular weight of 1259.17 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;N-[3-(2-methoxyphenyl)phenyl]-2-methylquinolin-4-amine.

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;N-[3-(2-methoxyphenyl)phenyl]-2-methylquinolin-4-amine
PubChem CID162107711
Molecular FormulaC78H69BBrN7O4
Molecular Weight1259.17 g/mol
Exact Mass1257.47
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;N-[3-(2-methoxyphenyl)phenyl]-2-methylquinolin-4-amine
SMILESCOc1ccccc1-c1cccc(Nc2cc(C)nc3ccccc23)c1.Cc1cc(Nc2cccc(-c3ccccc3CN3CCc4ccccc4C3)c2)c2ccccc2n1.Cc1cc(Nc2cccc(Br)c2)c2ccccc2n1.O=Cc1ccccc1B(O)O
InChIInChI=1S/C32H29N3.C23H20N2O.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;1-16-14-22(20-11-3-5-12-21(20)24-16)25-18-9-7-8-17(15-18)19-10-4-6-13-23(19)26-2;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);3-15H,1-2H3,(H,24,25);2-10H,1H3,(H,18,19);1-5,10-11H
InChIKeyZFSOYWNIHHPTCP-UHFFFAOYSA-N
XLogP17.70
TPSA144.76 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds13
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001259.17
LogP ≤ 517.70
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;N-[3-(2-methoxyphenyl)phenyl]-2-methylquinolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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;N-[3-(2-methoxyphenyl)phenyl]-2-methylquinolin-4-amine?
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;N-[3-(2-methoxyphenyl)phenyl]-2-methylquinolin-4-amine (CID 162107711) 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;N-[3-(2-methoxyphenyl)phenyl]-2-methylquinolin-4-amine.
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;N-[3-(2-methoxyphenyl)phenyl]-2-methylquinolin-4-amine?
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;N-[3-(2-methoxyphenyl)phenyl]-2-methylquinolin-4-amine is COc1ccccc1-c1cccc(Nc2cc(C)nc3ccccc23)c1.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;N-[3-(2-methoxyphenyl)phenyl]-2-methylquinolin-4-amine?
The InChIKey is ZFSOYWNIHHPTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29N3.C23H20N2O.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;1-16-14-22(20-11-3-5-12-21(20)24-16)25-18-9-7-8-17(15-18)19-10-4-6-13-23(19)26-2;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);3-15H,1-2H3,(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;N-[3-(2-methoxyphenyl)phenyl]-2-methylquinolin-4-amine?
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 has a molecular weight of 1259.17 g/mol, XLogP of 17.70, 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;N-[3-(2-methoxyphenyl)phenyl]-2-methylquinolin-4-amine is sourced from PubChem (CID 162107711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).