4-(2-amino-4-ethoxyquinazolin-6-yl)-N,N-dimethylbenzamide

C19H20N4O2 — CID 68599659

IUPAC4-(2-amino-4-ethoxyquinazolin-6-yl)-N,N-dimethylbenzamide
SMILESCCOc1nc(N)nc2ccc(-c3ccc(C(=O)N(C)C)cc3)cc12
InChIInChI=1S/C19H20N4O2/c1-4-25-17-15-11-14(9-10-16(15)21-19(20)22-17)12-5-7-13(8-6-12)18(24)23(2)3/h5-11H,4H2,1-3H3,(H2,20,21,22)
InChIKeyIRBWNBPILPDXTF-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.98
Rot. Bonds4

About 4-(2-amino-4-ethoxyquinazolin-6-yl)-N,N-dimethylbenzamide

4-(2-amino-4-ethoxyquinazolin-6-yl)-N,N-dimethylbenzamide (PubChem CID 68599659) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 4-(2-amino-4-ethoxyquinazolin-6-yl)-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-(2-amino-4-ethoxyquinazolin-6-yl)-N,N-dimethylbenzamide
PubChem CID68599659
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name4-(2-amino-4-ethoxyquinazolin-6-yl)-N,N-dimethylbenzamide
SMILESCCOc1nc(N)nc2ccc(-c3ccc(C(=O)N(C)C)cc3)cc12
InChIInChI=1S/C19H20N4O2/c1-4-25-17-15-11-14(9-10-16(15)21-19(20)22-17)12-5-7-13(8-6-12)18(24)23(2)3/h5-11H,4H2,1-3H3,(H2,20,21,22)
InChIKeyIRBWNBPILPDXTF-UHFFFAOYSA-N
XLogP2.98
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-4-ethoxyquinazolin-6-yl)-N,N-dimethylbenzamide?
The IUPAC name of 4-(2-amino-4-ethoxyquinazolin-6-yl)-N,N-dimethylbenzamide (CID 68599659) is 4-(2-amino-4-ethoxyquinazolin-6-yl)-N,N-dimethylbenzamide.
What is the SMILES notation for 4-(2-amino-4-ethoxyquinazolin-6-yl)-N,N-dimethylbenzamide?
The canonical SMILES for 4-(2-amino-4-ethoxyquinazolin-6-yl)-N,N-dimethylbenzamide is CCOc1nc(N)nc2ccc(-c3ccc(C(=O)N(C)C)cc3)cc12.
What is the InChIKey of 4-(2-amino-4-ethoxyquinazolin-6-yl)-N,N-dimethylbenzamide?
The InChIKey is IRBWNBPILPDXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-4-25-17-15-11-14(9-10-16(15)21-19(20)22-17)12-5-7-13(8-6-12)18(24)23(2)3/h5-11H,4H2,1-3H3,(H2,20,21,22).
What are the key properties of 4-(2-amino-4-ethoxyquinazolin-6-yl)-N,N-dimethylbenzamide?
4-(2-amino-4-ethoxyquinazolin-6-yl)-N,N-dimethylbenzamide has a molecular weight of 336.40 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-4-ethoxyquinazolin-6-yl)-N,N-dimethylbenzamide is sourced from PubChem (CID 68599659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).