N-[2-[4-[[(2,4-diaminoquinazolin-6-yl)amino]methyl]phenyl]ethyl]-2-phenylacetamide

C25H26N6O — CID 141482990

IUPACN-[2-[4-[[(2,4-diaminoquinazolin-6-yl)amino]methyl]phenyl]ethyl]-2-phenylacetamide
SMILESNc1nc(N)c2cc(NCc3ccc(CCNC(=O)Cc4ccccc4)cc3)ccc2n1
InChIInChI=1S/C25H26N6O/c26-24-21-15-20(10-11-22(21)30-25(27)31-24)29-16-19-8-6-17(7-9-19)12-13-28-23(32)14-18-4-2-1-3-5-18/h1-11,15,29H,12-14,16H2,(H,28,32)(H4,26,27,30,31)
InChIKeyMSTXQGIZXLHRTL-UHFFFAOYSA-N
MW426.52 g/mol
LogP3.31
Rot. Bonds8

About N-[2-[4-[[(2,4-diaminoquinazolin-6-yl)amino]methyl]phenyl]ethyl]-2-phenylacetamide

N-[2-[4-[[(2,4-diaminoquinazolin-6-yl)amino]methyl]phenyl]ethyl]-2-phenylacetamide (PubChem CID 141482990) has the molecular formula C25H26N6O and a molecular weight of 426.52 g/mol. Its IUPAC name is N-[2-[4-[[(2,4-diaminoquinazolin-6-yl)amino]methyl]phenyl]ethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-[4-[[(2,4-diaminoquinazolin-6-yl)amino]methyl]phenyl]ethyl]-2-phenylacetamide
PubChem CID141482990
Molecular FormulaC25H26N6O
Molecular Weight426.52 g/mol
Exact Mass426.22
IUPAC NameN-[2-[4-[[(2,4-diaminoquinazolin-6-yl)amino]methyl]phenyl]ethyl]-2-phenylacetamide
SMILESNc1nc(N)c2cc(NCc3ccc(CCNC(=O)Cc4ccccc4)cc3)ccc2n1
InChIInChI=1S/C25H26N6O/c26-24-21-15-20(10-11-22(21)30-25(27)31-24)29-16-19-8-6-17(7-9-19)12-13-28-23(32)14-18-4-2-1-3-5-18/h1-11,15,29H,12-14,16H2,(H,28,32)(H4,26,27,30,31)
InChIKeyMSTXQGIZXLHRTL-UHFFFAOYSA-N
XLogP3.31
TPSA118.95 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 53.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze N-[2-[4-[[(2,4-diaminoquinazolin-6-yl)amino]methyl]phenyl]ethyl]-2-phenylacetamide with MolForge

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Related Compounds

N2,N4-Dibenzylquinazoline-2,4-diamine
CID 676352
Bms-833923
CID 57662985
N-(4-m-Tolylamino-quinazolin-6-yl)-acrylamide
CID 9995195
N-(4-Phenylamino-quinazolin-6-YL)-acrylamide
CID 10401956
KF 15232
CID 130152
1-{(E)-amino[(4-methylquinazolin-2-yl)amino]methylidene}-3-cyclohexylurea
CID 135526883
N6-benzylquinazoline-2,4,6-triamine
CID 462120
4-N-benzyl-2-N-phenylquinazoline-2,4-diamine
CID 805487
4-Butyl-N-[2-(4-ethyl-piperazin-1-yl)-4-methyl-quinolin-6-yl]-benzamide
CID 3410248
1-(2-(Diethylamino)quinazolin-4-yl)-3-phenylurea
CID 10640536
2-Benzoylaminoquinazoline-4-carboxyanilide
CID 24749708
2-[4-(2-Aminoquinazolin-4-Yl)phenyl]-N,N-Dimethyl-Acetamide
CID 118704901

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[[(2,4-diaminoquinazolin-6-yl)amino]methyl]phenyl]ethyl]-2-phenylacetamide?
The IUPAC name of N-[2-[4-[[(2,4-diaminoquinazolin-6-yl)amino]methyl]phenyl]ethyl]-2-phenylacetamide (CID 141482990) is N-[2-[4-[[(2,4-diaminoquinazolin-6-yl)amino]methyl]phenyl]ethyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-[4-[[(2,4-diaminoquinazolin-6-yl)amino]methyl]phenyl]ethyl]-2-phenylacetamide?
The canonical SMILES for N-[2-[4-[[(2,4-diaminoquinazolin-6-yl)amino]methyl]phenyl]ethyl]-2-phenylacetamide is Nc1nc(N)c2cc(NCc3ccc(CCNC(=O)Cc4ccccc4)cc3)ccc2n1.
What is the InChIKey of N-[2-[4-[[(2,4-diaminoquinazolin-6-yl)amino]methyl]phenyl]ethyl]-2-phenylacetamide?
The InChIKey is MSTXQGIZXLHRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O/c26-24-21-15-20(10-11-22(21)30-25(27)31-24)29-16-19-8-6-17(7-9-19)12-13-28-23(32)14-18-4-2-1-3-5-18/h1-11,15,29H,12-14,16H2,(H,28,32)(H4,26,27,30,31).
What are the key properties of N-[2-[4-[[(2,4-diaminoquinazolin-6-yl)amino]methyl]phenyl]ethyl]-2-phenylacetamide?
N-[2-[4-[[(2,4-diaminoquinazolin-6-yl)amino]methyl]phenyl]ethyl]-2-phenylacetamide has a molecular weight of 426.52 g/mol, XLogP of 3.31, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[[(2,4-diaminoquinazolin-6-yl)amino]methyl]phenyl]ethyl]-2-phenylacetamide is sourced from PubChem (CID 141482990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).