N',N'-dimethyl-N-[[3-[4-(4-phenoxyanilino)quinolin-7-yl]phenyl]methyl]ethane-1,2-diamine

C32H32N4O — CID 44532528

IUPACN',N'-dimethyl-N-[[3-[4-(4-phenoxyanilino)quinolin-7-yl]phenyl]methyl]ethane-1,2-diamine
SMILESCN(C)CCNCc1cccc(-c2ccc3c(Nc4ccc(Oc5ccccc5)cc4)ccnc3c2)c1
InChIInChI=1S/C32H32N4O/c1-36(2)20-19-33-23-24-7-6-8-25(21-24)26-11-16-30-31(17-18-34-32(30)22-26)35-27-12-14-29(15-13-27)37-28-9-4-3-5-10-28/h3-18,21-22,33H,19-20,23H2,1-2H3,(H,34,35)
InChIKeyUIHVBUQOGYCWAW-UHFFFAOYSA-N
MW488.64 g/mol
LogP7.09
Rot. Bonds10

About N',N'-dimethyl-N-[[3-[4-(4-phenoxyanilino)quinolin-7-yl]phenyl]methyl]ethane-1,2-diamine

N',N'-dimethyl-N-[[3-[4-(4-phenoxyanilino)quinolin-7-yl]phenyl]methyl]ethane-1,2-diamine (PubChem CID 44532528) has the molecular formula C32H32N4O and a molecular weight of 488.64 g/mol. Its IUPAC name is N',N'-dimethyl-N-[[3-[4-(4-phenoxyanilino)quinolin-7-yl]phenyl]methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[[3-[4-(4-phenoxyanilino)quinolin-7-yl]phenyl]methyl]ethane-1,2-diamine
PubChem CID44532528
Molecular FormulaC32H32N4O
Molecular Weight488.64 g/mol
Exact Mass488.26
IUPAC NameN',N'-dimethyl-N-[[3-[4-(4-phenoxyanilino)quinolin-7-yl]phenyl]methyl]ethane-1,2-diamine
SMILESCN(C)CCNCc1cccc(-c2ccc3c(Nc4ccc(Oc5ccccc5)cc4)ccnc3c2)c1
InChIInChI=1S/C32H32N4O/c1-36(2)20-19-33-23-24-7-6-8-25(21-24)26-11-16-30-31(17-18-34-32(30)22-26)35-27-12-14-29(15-13-27)37-28-9-4-3-5-10-28/h3-18,21-22,33H,19-20,23H2,1-2H3,(H,34,35)
InChIKeyUIHVBUQOGYCWAW-UHFFFAOYSA-N
XLogP7.09
TPSA49.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.64
LogP ≤ 57.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[[3-[4-(4-phenoxyanilino)quinolin-7-yl]phenyl]methyl]ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-[[3-[4-(4-phenoxyanilino)quinolin-7-yl]phenyl]methyl]ethane-1,2-diamine (CID 44532528) is N',N'-dimethyl-N-[[3-[4-(4-phenoxyanilino)quinolin-7-yl]phenyl]methyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[[3-[4-(4-phenoxyanilino)quinolin-7-yl]phenyl]methyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-[[3-[4-(4-phenoxyanilino)quinolin-7-yl]phenyl]methyl]ethane-1,2-diamine is CN(C)CCNCc1cccc(-c2ccc3c(Nc4ccc(Oc5ccccc5)cc4)ccnc3c2)c1.
What is the InChIKey of N',N'-dimethyl-N-[[3-[4-(4-phenoxyanilino)quinolin-7-yl]phenyl]methyl]ethane-1,2-diamine?
The InChIKey is UIHVBUQOGYCWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N4O/c1-36(2)20-19-33-23-24-7-6-8-25(21-24)26-11-16-30-31(17-18-34-32(30)22-26)35-27-12-14-29(15-13-27)37-28-9-4-3-5-10-28/h3-18,21-22,33H,19-20,23H2,1-2H3,(H,34,35).
What are the key properties of N',N'-dimethyl-N-[[3-[4-(4-phenoxyanilino)quinolin-7-yl]phenyl]methyl]ethane-1,2-diamine?
N',N'-dimethyl-N-[[3-[4-(4-phenoxyanilino)quinolin-7-yl]phenyl]methyl]ethane-1,2-diamine has a molecular weight of 488.64 g/mol, XLogP of 7.09, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[[3-[4-(4-phenoxyanilino)quinolin-7-yl]phenyl]methyl]ethane-1,2-diamine is sourced from PubChem (CID 44532528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).