6-[4-(diethylamino)quinazolin-6-yl]-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine

C30H31N7O — CID 68878121

IUPAC6-[4-(diethylamino)quinazolin-6-yl]-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
SMILESCCN(CC)c1ncnc2ccc(-c3ccc4ncnc(Nc5ccc(N6CCOCC6)cc5)c4c3)cc12
InChIInChI=1S/C30H31N7O/c1-3-36(4-2)30-26-18-22(6-12-28(26)32-20-34-30)21-5-11-27-25(17-21)29(33-19-31-27)35-23-7-9-24(10-8-23)37-13-15-38-16-14-37/h5-12,17-20H,3-4,13-16H2,1-2H3,(H,31,33,35)
InChIKeySJSZKTSZCJEDKD-UHFFFAOYSA-N
MW505.63 g/mol
LogP5.67
Rot. Bonds7

About 6-[4-(diethylamino)quinazolin-6-yl]-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine

6-[4-(diethylamino)quinazolin-6-yl]-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine (PubChem CID 68878121) has the molecular formula C30H31N7O and a molecular weight of 505.63 g/mol. Its IUPAC name is 6-[4-(diethylamino)quinazolin-6-yl]-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-[4-(diethylamino)quinazolin-6-yl]-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
PubChem CID68878121
Molecular FormulaC30H31N7O
Molecular Weight505.63 g/mol
Exact Mass505.26
IUPAC Name6-[4-(diethylamino)quinazolin-6-yl]-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
SMILESCCN(CC)c1ncnc2ccc(-c3ccc4ncnc(Nc5ccc(N6CCOCC6)cc5)c4c3)cc12
InChIInChI=1S/C30H31N7O/c1-3-36(4-2)30-26-18-22(6-12-28(26)32-20-34-30)21-5-11-27-25(17-21)29(33-19-31-27)35-23-7-9-24(10-8-23)37-13-15-38-16-14-37/h5-12,17-20H,3-4,13-16H2,1-2H3,(H,31,33,35)
InChIKeySJSZKTSZCJEDKD-UHFFFAOYSA-N
XLogP5.67
TPSA79.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.63
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

ethane;6-methyl-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
CID 143267063
6-(4-methylthiophen-2-yl)-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
CID 15956172
6-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
CID 69248088
2-[4-(4-morpholin-4-ylanilino)quinazolin-6-yl]-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
CID 90920909
6-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
CID 69177666
6-morpholin-4-yl-N-propylquinazolin-4-amine
CID 56942638
6-iodo-N-[4-(4-methylpiperidin-1-yl)phenyl]quinazolin-4-amine
CID 23822629
N-[(4-methoxyphenyl)methyl]-4-(4-morpholin-4-ylanilino)quinazoline-6-carboxamide
CID 15956177
N-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-6-morpholin-4-ylquinazolin-4-amine
CID 167988103
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-(3-morpholin-4-ylphenyl)quinazolin-4-amine
CID 71663312
6-(4-methylpiperazin-1-yl)-N-phenylquinazolin-4-amine
CID 132609713
4-[4-(6-bromoquinazolin-4-yl)phenyl]morpholine
CID 170641265

Frequently Asked Questions

What is the IUPAC name of 6-[4-(diethylamino)quinazolin-6-yl]-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine?
The IUPAC name of 6-[4-(diethylamino)quinazolin-6-yl]-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine (CID 68878121) is 6-[4-(diethylamino)quinazolin-6-yl]-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine.
What is the SMILES notation for 6-[4-(diethylamino)quinazolin-6-yl]-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine?
The canonical SMILES for 6-[4-(diethylamino)quinazolin-6-yl]-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine is CCN(CC)c1ncnc2ccc(-c3ccc4ncnc(Nc5ccc(N6CCOCC6)cc5)c4c3)cc12.
What is the InChIKey of 6-[4-(diethylamino)quinazolin-6-yl]-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine?
The InChIKey is SJSZKTSZCJEDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N7O/c1-3-36(4-2)30-26-18-22(6-12-28(26)32-20-34-30)21-5-11-27-25(17-21)29(33-19-31-27)35-23-7-9-24(10-8-23)37-13-15-38-16-14-37/h5-12,17-20H,3-4,13-16H2,1-2H3,(H,31,33,35).
What are the key properties of 6-[4-(diethylamino)quinazolin-6-yl]-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine?
6-[4-(diethylamino)quinazolin-6-yl]-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine has a molecular weight of 505.63 g/mol, XLogP of 5.67, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(diethylamino)quinazolin-6-yl]-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine is sourced from PubChem (CID 68878121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).