N-[4-(morpholin-4-ylmethyl)phenyl]-2-naphthalen-2-ylquinolin-4-amine

C30H27N3O — CID 100970631

IUPACN-[4-(morpholin-4-ylmethyl)phenyl]-2-naphthalen-2-ylquinolin-4-amine
SMILESc1ccc2cc(-c3cc(Nc4ccc(CN5CCOCC5)cc4)c4ccccc4n3)ccc2c1
InChIInChI=1S/C30H27N3O/c1-2-6-24-19-25(12-11-23(24)5-1)29-20-30(27-7-3-4-8-28(27)32-29)31-26-13-9-22(10-14-26)21-33-15-17-34-18-16-33/h1-14,19-20H,15-18,21H2,(H,31,32)
InChIKeyRAEBNWAQMGLAPA-UHFFFAOYSA-N
MW445.57 g/mol
LogP6.63
Rot. Bonds5

About N-[4-(morpholin-4-ylmethyl)phenyl]-2-naphthalen-2-ylquinolin-4-amine

N-[4-(morpholin-4-ylmethyl)phenyl]-2-naphthalen-2-ylquinolin-4-amine (PubChem CID 100970631) has the molecular formula C30H27N3O and a molecular weight of 445.57 g/mol. Its IUPAC name is N-[4-(morpholin-4-ylmethyl)phenyl]-2-naphthalen-2-ylquinolin-4-amine.

Molecular Properties

Compound NameN-[4-(morpholin-4-ylmethyl)phenyl]-2-naphthalen-2-ylquinolin-4-amine
PubChem CID100970631
Molecular FormulaC30H27N3O
Molecular Weight445.57 g/mol
Exact Mass445.22
IUPAC NameN-[4-(morpholin-4-ylmethyl)phenyl]-2-naphthalen-2-ylquinolin-4-amine
SMILESc1ccc2cc(-c3cc(Nc4ccc(CN5CCOCC5)cc4)c4ccccc4n3)ccc2c1
InChIInChI=1S/C30H27N3O/c1-2-6-24-19-25(12-11-23(24)5-1)29-20-30(27-7-3-4-8-28(27)32-29)31-26-13-9-22(10-14-26)21-33-15-17-34-18-16-33/h1-14,19-20H,15-18,21H2,(H,31,32)
InChIKeyRAEBNWAQMGLAPA-UHFFFAOYSA-N
XLogP6.63
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.57
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]-6-phenylpyrimidin-4-amine
CID 108773218
N-[4-(morpholin-4-ylmethyl)phenyl]-6-phenylpyrimidin-4-amine
CID 108773217
4-[(3-quinolin-2-ylphenyl)methyl]morpholine
CID 50980839
N-methyl-2-naphthalen-2-ylquinolin-4-amine
CID 142840384
N,2-bis(4-methoxyphenyl)quinolin-4-amine
CID 10981160
2-(4-anilinophenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 24652273
4-[[2-(morpholin-4-ylmethyl)quinazolin-4-yl]amino]phenol
CID 21004213
N-(4-bromophenyl)-2-phenylquinolin-4-amine;hydrochloride
CID 139593880
4-[[2-(4-fluorophenyl)quinolin-4-yl]amino]phenol
CID 10882081
4-chloro-2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]quinoline
CID 10861098
4-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]quinoline-2-carbonitrile
CID 133318713
3-[4-methyl-6-(morpholin-4-ylmethyl)quinolin-2-yl]phenol
CID 169415857

Frequently Asked Questions

What is the IUPAC name of N-[4-(morpholin-4-ylmethyl)phenyl]-2-naphthalen-2-ylquinolin-4-amine?
The IUPAC name of N-[4-(morpholin-4-ylmethyl)phenyl]-2-naphthalen-2-ylquinolin-4-amine (CID 100970631) is N-[4-(morpholin-4-ylmethyl)phenyl]-2-naphthalen-2-ylquinolin-4-amine.
What is the SMILES notation for N-[4-(morpholin-4-ylmethyl)phenyl]-2-naphthalen-2-ylquinolin-4-amine?
The canonical SMILES for N-[4-(morpholin-4-ylmethyl)phenyl]-2-naphthalen-2-ylquinolin-4-amine is c1ccc2cc(-c3cc(Nc4ccc(CN5CCOCC5)cc4)c4ccccc4n3)ccc2c1.
What is the InChIKey of N-[4-(morpholin-4-ylmethyl)phenyl]-2-naphthalen-2-ylquinolin-4-amine?
The InChIKey is RAEBNWAQMGLAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N3O/c1-2-6-24-19-25(12-11-23(24)5-1)29-20-30(27-7-3-4-8-28(27)32-29)31-26-13-9-22(10-14-26)21-33-15-17-34-18-16-33/h1-14,19-20H,15-18,21H2,(H,31,32).
What are the key properties of N-[4-(morpholin-4-ylmethyl)phenyl]-2-naphthalen-2-ylquinolin-4-amine?
N-[4-(morpholin-4-ylmethyl)phenyl]-2-naphthalen-2-ylquinolin-4-amine has a molecular weight of 445.57 g/mol, XLogP of 6.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(morpholin-4-ylmethyl)phenyl]-2-naphthalen-2-ylquinolin-4-amine is sourced from PubChem (CID 100970631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).