4-(2-amino-4-ethoxyquinazolin-6-yl)-N-[2-(dimethylamino)ethyl]benzamide

C21H25N5O2 — CID 68602035

IUPAC4-(2-amino-4-ethoxyquinazolin-6-yl)-N-[2-(dimethylamino)ethyl]benzamide
SMILESCCOc1nc(N)nc2ccc(-c3ccc(C(=O)NCCN(C)C)cc3)cc12
InChIInChI=1S/C21H25N5O2/c1-4-28-20-17-13-16(9-10-18(17)24-21(22)25-20)14-5-7-15(8-6-14)19(27)23-11-12-26(2)3/h5-10,13H,4,11-12H2,1-3H3,(H,23,27)(H2,22,24,25)
InChIKeyQXTSUIUGXNLUPR-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.57
Rot. Bonds7

About 4-(2-amino-4-ethoxyquinazolin-6-yl)-N-[2-(dimethylamino)ethyl]benzamide

4-(2-amino-4-ethoxyquinazolin-6-yl)-N-[2-(dimethylamino)ethyl]benzamide (PubChem CID 68602035) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 4-(2-amino-4-ethoxyquinazolin-6-yl)-N-[2-(dimethylamino)ethyl]benzamide.

Molecular Properties

Compound Name4-(2-amino-4-ethoxyquinazolin-6-yl)-N-[2-(dimethylamino)ethyl]benzamide
PubChem CID68602035
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name4-(2-amino-4-ethoxyquinazolin-6-yl)-N-[2-(dimethylamino)ethyl]benzamide
SMILESCCOc1nc(N)nc2ccc(-c3ccc(C(=O)NCCN(C)C)cc3)cc12
InChIInChI=1S/C21H25N5O2/c1-4-28-20-17-13-16(9-10-18(17)24-21(22)25-20)14-5-7-15(8-6-14)19(27)23-11-12-26(2)3/h5-10,13H,4,11-12H2,1-3H3,(H,23,27)(H2,22,24,25)
InChIKeyQXTSUIUGXNLUPR-UHFFFAOYSA-N
XLogP2.57
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-amino-4-ethoxyquinazolin-6-yl)-N-butylbenzamide
CID 68599915
4-(2-amino-4-propan-2-yloxyquinazolin-6-yl)-N-[2-(dimethylamino)ethyl]benzamide
CID 68601022
4-(2-amino-4-ethoxyquinazolin-6-yl)-N,N-dimethylbenzamide
CID 68599659
4-[2-amino-4-(cyclopropylmethoxy)quinazolin-6-yl]-N-methoxybenzamide
CID 87511779
4-[2-amino-4-(cyclopropylmethoxy)quinazolin-6-yl]-N-cyclopentylbenzamide
CID 68602190
N-[2-(dimethylamino)ethyl]-3,4,5-triethoxybenzamide
CID 756601
N-[2-(dimethylamino)ethyl]-4-(2,6-diphenyl-4-pyridinyl)benzamide;dihydrochloride
CID 67598283
4-[2-amino-4-(cyclopropylmethoxy)quinazolin-6-yl]-N-(furan-2-ylmethyl)benzamide
CID 68602385
3-[6-amino-5-(4-phenylphenyl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide
CID 25106863
N-[2-(dimethylamino)ethyl]-4-[6-[2-(4-pentoxyphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzamide
CID 138649511
4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]-N-[3-[2-[2-[3-[[4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]amino]propoxy]ethoxy]ethoxy]propyl]benzamide
CID 138649300
4-(cyclobutylmethoxy)-6-(4-ethoxyphenyl)quinazolin-2-amine
CID 68600652

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-4-ethoxyquinazolin-6-yl)-N-[2-(dimethylamino)ethyl]benzamide?
The IUPAC name of 4-(2-amino-4-ethoxyquinazolin-6-yl)-N-[2-(dimethylamino)ethyl]benzamide (CID 68602035) is 4-(2-amino-4-ethoxyquinazolin-6-yl)-N-[2-(dimethylamino)ethyl]benzamide.
What is the SMILES notation for 4-(2-amino-4-ethoxyquinazolin-6-yl)-N-[2-(dimethylamino)ethyl]benzamide?
The canonical SMILES for 4-(2-amino-4-ethoxyquinazolin-6-yl)-N-[2-(dimethylamino)ethyl]benzamide is CCOc1nc(N)nc2ccc(-c3ccc(C(=O)NCCN(C)C)cc3)cc12.
What is the InChIKey of 4-(2-amino-4-ethoxyquinazolin-6-yl)-N-[2-(dimethylamino)ethyl]benzamide?
The InChIKey is QXTSUIUGXNLUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-4-28-20-17-13-16(9-10-18(17)24-21(22)25-20)14-5-7-15(8-6-14)19(27)23-11-12-26(2)3/h5-10,13H,4,11-12H2,1-3H3,(H,23,27)(H2,22,24,25).
What are the key properties of 4-(2-amino-4-ethoxyquinazolin-6-yl)-N-[2-(dimethylamino)ethyl]benzamide?
4-(2-amino-4-ethoxyquinazolin-6-yl)-N-[2-(dimethylamino)ethyl]benzamide has a molecular weight of 379.46 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-4-ethoxyquinazolin-6-yl)-N-[2-(dimethylamino)ethyl]benzamide is sourced from PubChem (CID 68602035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).