2-[4-(dimethylamino)phenyl]-N-(2-morpholin-4-yl-2-phenylethyl)quinazolin-4-amine

C28H31N5O — CID 121378075

IUPAC2-[4-(dimethylamino)phenyl]-N-(2-morpholin-4-yl-2-phenylethyl)quinazolin-4-amine
SMILESCN(C)c1ccc(-c2nc(NCC(c3ccccc3)N3CCOCC3)c3ccccc3n2)cc1
InChIInChI=1S/C28H31N5O/c1-32(2)23-14-12-22(13-15-23)27-30-25-11-7-6-10-24(25)28(31-27)29-20-26(21-8-4-3-5-9-21)33-16-18-34-19-17-33/h3-15,26H,16-20H2,1-2H3,(H,29,30,31)
InChIKeyLQEQJDLGOWBBIJ-UHFFFAOYSA-N
MW453.59 g/mol
LogP4.85
Rot. Bonds7

About 2-[4-(dimethylamino)phenyl]-N-(2-morpholin-4-yl-2-phenylethyl)quinazolin-4-amine

2-[4-(dimethylamino)phenyl]-N-(2-morpholin-4-yl-2-phenylethyl)quinazolin-4-amine (PubChem CID 121378075) has the molecular formula C28H31N5O and a molecular weight of 453.59 g/mol. Its IUPAC name is 2-[4-(dimethylamino)phenyl]-N-(2-morpholin-4-yl-2-phenylethyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-[4-(dimethylamino)phenyl]-N-(2-morpholin-4-yl-2-phenylethyl)quinazolin-4-amine
PubChem CID121378075
Molecular FormulaC28H31N5O
Molecular Weight453.59 g/mol
Exact Mass453.25
IUPAC Name2-[4-(dimethylamino)phenyl]-N-(2-morpholin-4-yl-2-phenylethyl)quinazolin-4-amine
SMILESCN(C)c1ccc(-c2nc(NCC(c3ccccc3)N3CCOCC3)c3ccccc3n2)cc1
InChIInChI=1S/C28H31N5O/c1-32(2)23-14-12-22(13-15-23)27-30-25-11-7-6-10-24(25)28(31-27)29-20-26(21-8-4-3-5-9-21)33-16-18-34-19-17-33/h3-15,26H,16-20H2,1-2H3,(H,29,30,31)
InChIKeyLQEQJDLGOWBBIJ-UHFFFAOYSA-N
XLogP4.85
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.59
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-morpholin-4-ylpropyl)-2-pyridin-4-ylquinazolin-4-amine
CID 166205965
N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-2-pyridin-3-ylquinazolin-4-amine
CID 31489441
N-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]-2-pyridin-3-ylquinazolin-4-amine
CID 86898790
2-[4-(dimethylamino)phenyl]-N-(1,2-diphenylethyl)quinazolin-4-amine
CID 121378120
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylquinolin-4-amine
CID 71899447
2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine
CID 20963131
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]ethanesulfonamide
CID 7498187
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-2-naphthalen-1-ylacetamide
CID 7496868
N-[2-[6-[4-(dimethylamino)phenyl]-2-pyridinyl]-2-phenylethyl]-2-[2-(dimethylamino)pyrimidin-5-yl]quinazolin-4-amine
CID 121388225
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(trifluoromethyl)quinolin-4-amine
CID 97083925
2-N,2-N-dimethyl-4-N-(2-morpholin-4-yl-2-phenylethyl)-6-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 133433575
N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-3-phenylbutanamide
CID 110420650

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)phenyl]-N-(2-morpholin-4-yl-2-phenylethyl)quinazolin-4-amine?
The IUPAC name of 2-[4-(dimethylamino)phenyl]-N-(2-morpholin-4-yl-2-phenylethyl)quinazolin-4-amine (CID 121378075) is 2-[4-(dimethylamino)phenyl]-N-(2-morpholin-4-yl-2-phenylethyl)quinazolin-4-amine.
What is the SMILES notation for 2-[4-(dimethylamino)phenyl]-N-(2-morpholin-4-yl-2-phenylethyl)quinazolin-4-amine?
The canonical SMILES for 2-[4-(dimethylamino)phenyl]-N-(2-morpholin-4-yl-2-phenylethyl)quinazolin-4-amine is CN(C)c1ccc(-c2nc(NCC(c3ccccc3)N3CCOCC3)c3ccccc3n2)cc1.
What is the InChIKey of 2-[4-(dimethylamino)phenyl]-N-(2-morpholin-4-yl-2-phenylethyl)quinazolin-4-amine?
The InChIKey is LQEQJDLGOWBBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O/c1-32(2)23-14-12-22(13-15-23)27-30-25-11-7-6-10-24(25)28(31-27)29-20-26(21-8-4-3-5-9-21)33-16-18-34-19-17-33/h3-15,26H,16-20H2,1-2H3,(H,29,30,31).
What are the key properties of 2-[4-(dimethylamino)phenyl]-N-(2-morpholin-4-yl-2-phenylethyl)quinazolin-4-amine?
2-[4-(dimethylamino)phenyl]-N-(2-morpholin-4-yl-2-phenylethyl)quinazolin-4-amine has a molecular weight of 453.59 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)phenyl]-N-(2-morpholin-4-yl-2-phenylethyl)quinazolin-4-amine is sourced from PubChem (CID 121378075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).