6-[2-methyl-6-(3-methylphenyl)phenyl]-3-morpholin-4-ylquinolin-2-amine

C27H27N3O — CID 71260946

IUPAC6-[2-methyl-6-(3-methylphenyl)phenyl]-3-morpholin-4-ylquinolin-2-amine
SMILESCc1cccc(-c2cccc(C)c2-c2ccc3nc(N)c(N4CCOCC4)cc3c2)c1
InChIInChI=1S/C27H27N3O/c1-18-5-3-7-20(15-18)23-8-4-6-19(2)26(23)21-9-10-24-22(16-21)17-25(27(28)29-24)30-11-13-31-14-12-30/h3-10,15-17H,11-14H2,1-2H3,(H2,28,29)
InChIKeyBYJVVOVMACEHGF-UHFFFAOYSA-N
MW409.53 g/mol
LogP5.60
Rot. Bonds3

About 6-[2-methyl-6-(3-methylphenyl)phenyl]-3-morpholin-4-ylquinolin-2-amine

6-[2-methyl-6-(3-methylphenyl)phenyl]-3-morpholin-4-ylquinolin-2-amine (PubChem CID 71260946) has the molecular formula C27H27N3O and a molecular weight of 409.53 g/mol. Its IUPAC name is 6-[2-methyl-6-(3-methylphenyl)phenyl]-3-morpholin-4-ylquinolin-2-amine.

Molecular Properties

Compound Name6-[2-methyl-6-(3-methylphenyl)phenyl]-3-morpholin-4-ylquinolin-2-amine
PubChem CID71260946
Molecular FormulaC27H27N3O
Molecular Weight409.53 g/mol
Exact Mass409.22
IUPAC Name6-[2-methyl-6-(3-methylphenyl)phenyl]-3-morpholin-4-ylquinolin-2-amine
SMILESCc1cccc(-c2cccc(C)c2-c2ccc3nc(N)c(N4CCOCC4)cc3c2)c1
InChIInChI=1S/C27H27N3O/c1-18-5-3-7-20(15-18)23-8-4-6-19(2)26(23)21-9-10-24-22(16-21)17-25(27(28)29-24)30-11-13-31-14-12-30/h3-10,15-17H,11-14H2,1-2H3,(H2,28,29)
InChIKeyBYJVVOVMACEHGF-UHFFFAOYSA-N
XLogP5.60
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.53
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-(3-methylphenyl)methanone
CID 71253386
3-morpholin-4-yl-6-phenylquinolin-2-amine
CID 173067500
6-[2-(3,3-dimethylbut-1-ynyl)-6-methylphenyl]-3-morpholin-4-ylquinolin-2-amine
CID 53329537
[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-(3-methyl-2-pyridinyl)methanone
CID 71253478
6-[2-(benzenecarboximidoyl)-6-methylphenyl]-3-morpholin-4-ylquinolin-2-amine
CID 86676838
6-[2-methyl-6-(oxolan-3-yloxy)phenyl]-3-morpholin-4-ylquinolin-2-amine
CID 53329890
6-[2-methyl-6-[nitroso(phenyl)methyl]phenyl]-3-morpholin-4-ylquinolin-2-amine
CID 123721880
6-[2-(2,2-dimethylpropoxy)phenyl]-3-morpholin-4-ylquinolin-2-amine
CID 53329887
N-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-N,3,3-trimethylbutanamide
CID 53329886
2-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-2,5-dihydropyrrole-1-carbaldehyde
CID 90309323
6-[2-(3,3-dimethylbut-1-ynyl)phenyl]-3-morpholin-4-ylquinolin-2-amine
CID 67347348
[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-[(3R)-3-fluoropyrrolidin-1-yl]methanone
CID 71253357

Frequently Asked Questions

What is the IUPAC name of 6-[2-methyl-6-(3-methylphenyl)phenyl]-3-morpholin-4-ylquinolin-2-amine?
The IUPAC name of 6-[2-methyl-6-(3-methylphenyl)phenyl]-3-morpholin-4-ylquinolin-2-amine (CID 71260946) is 6-[2-methyl-6-(3-methylphenyl)phenyl]-3-morpholin-4-ylquinolin-2-amine.
What is the SMILES notation for 6-[2-methyl-6-(3-methylphenyl)phenyl]-3-morpholin-4-ylquinolin-2-amine?
The canonical SMILES for 6-[2-methyl-6-(3-methylphenyl)phenyl]-3-morpholin-4-ylquinolin-2-amine is Cc1cccc(-c2cccc(C)c2-c2ccc3nc(N)c(N4CCOCC4)cc3c2)c1.
What is the InChIKey of 6-[2-methyl-6-(3-methylphenyl)phenyl]-3-morpholin-4-ylquinolin-2-amine?
The InChIKey is BYJVVOVMACEHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O/c1-18-5-3-7-20(15-18)23-8-4-6-19(2)26(23)21-9-10-24-22(16-21)17-25(27(28)29-24)30-11-13-31-14-12-30/h3-10,15-17H,11-14H2,1-2H3,(H2,28,29).
What are the key properties of 6-[2-methyl-6-(3-methylphenyl)phenyl]-3-morpholin-4-ylquinolin-2-amine?
6-[2-methyl-6-(3-methylphenyl)phenyl]-3-morpholin-4-ylquinolin-2-amine has a molecular weight of 409.53 g/mol, XLogP of 5.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-methyl-6-(3-methylphenyl)phenyl]-3-morpholin-4-ylquinolin-2-amine is sourced from PubChem (CID 71260946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).