N-[4-[(6-aminoquinazolin-4-yl)amino]phenyl]-2-(diethylamino)acetamide

C20H24N6O — CID 141333726

IUPACN-[4-[(6-aminoquinazolin-4-yl)amino]phenyl]-2-(diethylamino)acetamide
SMILESCCN(CC)CC(=O)Nc1ccc(Nc2ncnc3ccc(N)cc23)cc1
InChIInChI=1S/C20H24N6O/c1-3-26(4-2)12-19(27)24-15-6-8-16(9-7-15)25-20-17-11-14(21)5-10-18(17)22-13-23-20/h5-11,13H,3-4,12,21H2,1-2H3,(H,24,27)(H,22,23,25)
InChIKeyRICSPMYMLKVGFQ-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.24
Rot. Bonds7

About N-[4-[(6-aminoquinazolin-4-yl)amino]phenyl]-2-(diethylamino)acetamide

N-[4-[(6-aminoquinazolin-4-yl)amino]phenyl]-2-(diethylamino)acetamide (PubChem CID 141333726) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[4-[(6-aminoquinazolin-4-yl)amino]phenyl]-2-(diethylamino)acetamide.

Molecular Properties

Compound NameN-[4-[(6-aminoquinazolin-4-yl)amino]phenyl]-2-(diethylamino)acetamide
PubChem CID141333726
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC NameN-[4-[(6-aminoquinazolin-4-yl)amino]phenyl]-2-(diethylamino)acetamide
SMILESCCN(CC)CC(=O)Nc1ccc(Nc2ncnc3ccc(N)cc23)cc1
InChIInChI=1S/C20H24N6O/c1-3-26(4-2)12-19(27)24-15-6-8-16(9-7-15)25-20-17-11-14(21)5-10-18(17)22-13-23-20/h5-11,13H,3-4,12,21H2,1-2H3,(H,24,27)(H,22,23,25)
InChIKeyRICSPMYMLKVGFQ-UHFFFAOYSA-N
XLogP3.24
TPSA96.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(6-aminoquinazolin-4-yl)amino]phenyl]-2-(diethylamino)acetamide?
The IUPAC name of N-[4-[(6-aminoquinazolin-4-yl)amino]phenyl]-2-(diethylamino)acetamide (CID 141333726) is N-[4-[(6-aminoquinazolin-4-yl)amino]phenyl]-2-(diethylamino)acetamide.
What is the SMILES notation for N-[4-[(6-aminoquinazolin-4-yl)amino]phenyl]-2-(diethylamino)acetamide?
The canonical SMILES for N-[4-[(6-aminoquinazolin-4-yl)amino]phenyl]-2-(diethylamino)acetamide is CCN(CC)CC(=O)Nc1ccc(Nc2ncnc3ccc(N)cc23)cc1.
What is the InChIKey of N-[4-[(6-aminoquinazolin-4-yl)amino]phenyl]-2-(diethylamino)acetamide?
The InChIKey is RICSPMYMLKVGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-3-26(4-2)12-19(27)24-15-6-8-16(9-7-15)25-20-17-11-14(21)5-10-18(17)22-13-23-20/h5-11,13H,3-4,12,21H2,1-2H3,(H,24,27)(H,22,23,25).
What are the key properties of N-[4-[(6-aminoquinazolin-4-yl)amino]phenyl]-2-(diethylamino)acetamide?
N-[4-[(6-aminoquinazolin-4-yl)amino]phenyl]-2-(diethylamino)acetamide has a molecular weight of 364.45 g/mol, XLogP of 3.24, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(6-aminoquinazolin-4-yl)amino]phenyl]-2-(diethylamino)acetamide is sourced from PubChem (CID 141333726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).