[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-(3-methylphenyl)methanone

C28H27N3O2 — CID 71253386

IUPAC[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)c2cccc(C)c2-c2ccc3nc(N)c(N4CCOCC4)cc3c2)c1
InChIInChI=1S/C28H27N3O2/c1-18-5-3-7-21(15-18)27(32)23-8-4-6-19(2)26(23)20-9-10-24-22(16-20)17-25(28(29)30-24)31-11-13-33-14-12-31/h3-10,15-17H,11-14H2,1-2H3,(H2,29,30)
InChIKeySZXIUONNXIDVPG-UHFFFAOYSA-N
MW437.54 g/mol
LogP5.17
Rot. Bonds4

About [2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-(3-methylphenyl)methanone

[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-(3-methylphenyl)methanone (PubChem CID 71253386) has the molecular formula C28H27N3O2 and a molecular weight of 437.54 g/mol. Its IUPAC name is [2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-(3-methylphenyl)methanone.

Molecular Properties

Compound Name[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-(3-methylphenyl)methanone
PubChem CID71253386
Molecular FormulaC28H27N3O2
Molecular Weight437.54 g/mol
Exact Mass437.21
IUPAC Name[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)c2cccc(C)c2-c2ccc3nc(N)c(N4CCOCC4)cc3c2)c1
InChIInChI=1S/C28H27N3O2/c1-18-5-3-7-21(15-18)27(32)23-8-4-6-19(2)26(23)20-9-10-24-22(16-20)17-25(28(29)30-24)31-11-13-33-14-12-31/h3-10,15-17H,11-14H2,1-2H3,(H2,29,30)
InChIKeySZXIUONNXIDVPG-UHFFFAOYSA-N
XLogP5.17
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.54
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-(3-methylphenyl)methanone?
The IUPAC name of [2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-(3-methylphenyl)methanone (CID 71253386) is [2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-(3-methylphenyl)methanone.
What is the SMILES notation for [2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-(3-methylphenyl)methanone?
The canonical SMILES for [2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-(3-methylphenyl)methanone is Cc1cccc(C(=O)c2cccc(C)c2-c2ccc3nc(N)c(N4CCOCC4)cc3c2)c1.
What is the InChIKey of [2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-(3-methylphenyl)methanone?
The InChIKey is SZXIUONNXIDVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O2/c1-18-5-3-7-21(15-18)27(32)23-8-4-6-19(2)26(23)20-9-10-24-22(16-20)17-25(28(29)30-24)31-11-13-33-14-12-31/h3-10,15-17H,11-14H2,1-2H3,(H2,29,30).
What are the key properties of [2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-(3-methylphenyl)methanone?
[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-(3-methylphenyl)methanone has a molecular weight of 437.54 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-(3-methylphenyl)methanone is sourced from PubChem (CID 71253386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).