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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Related Compounds

3-(2,4-Diamino-6-Methylquinazolin-7-Yl)-4-Ethoxybenzaldehyde
CID 53346508
4-methyl-3-(2-(methylamino)quinazolin-6-yl)-N-(4-(1-methylpiperidin-4-yloxy)phenyl)benzamide
CID 16086101
3-(2,4-diamino-6-methylquinazolin-7-yl)-4-ethoxy-N,N-diethylbenzamide
CID 46898100
Fenazaquin metabolite NN1
CID 45691520
2-Methyl-2-[4-(2-quinazolin-4-yloxyethyl)phenyl]propanoic acid
CID 139597870
2-[(4-methoxy-6-methylquinazolin-2-yl)amino]-1H-quinazolin-4-one
CID 135449223
1-(4-Methylphenyl)-2-(2-methylquinazolin-4-yl)oxyethanone
CID 2447889
6-(furan-3-yl)-N-phenylquinazolin-4-amine
CID 3232653
6-(3-furanyl)-N-[(3-methylphenyl)methyl]-4-quinazolinamine
CID 3234345
6-(furan-3-yl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine
CID 3234739
3-(2-aminoquinazolin-6-yl)-1-(4-methoxyphenyl)-4-methylpyridin-2(1H)-one
CID 24879309
3-(2-aminoquinazolin-6-yl)-1-(3-methoxyphenyl)-4-methylpyridin-2(1H)-one
CID 24879310

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).