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

C22H27N5O2 — CID 68601022

IUPAC4-(2-amino-4-propan-2-yloxyquinazolin-6-yl)-N-[2-(dimethylamino)ethyl]benzamide
SMILESCC(C)Oc1nc(N)nc2ccc(-c3ccc(C(=O)NCCN(C)C)cc3)cc12
InChIInChI=1S/C22H27N5O2/c1-14(2)29-21-18-13-17(9-10-19(18)25-22(23)26-21)15-5-7-16(8-6-15)20(28)24-11-12-27(3)4/h5-10,13-14H,11-12H2,1-4H3,(H,24,28)(H2,23,25,26)
InChIKeyZRFFUBFMURIBEC-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.96
Rot. Bonds7

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

4-(2-amino-4-propan-2-yloxyquinazolin-6-yl)-N-[2-(dimethylamino)ethyl]benzamide (PubChem CID 68601022) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 4-(2-amino-4-propan-2-yloxyquinazolin-6-yl)-N-[2-(dimethylamino)ethyl]benzamide.

Molecular Properties

Compound Name4-(2-amino-4-propan-2-yloxyquinazolin-6-yl)-N-[2-(dimethylamino)ethyl]benzamide
PubChem CID68601022
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Name4-(2-amino-4-propan-2-yloxyquinazolin-6-yl)-N-[2-(dimethylamino)ethyl]benzamide
SMILESCC(C)Oc1nc(N)nc2ccc(-c3ccc(C(=O)NCCN(C)C)cc3)cc12
InChIInChI=1S/C22H27N5O2/c1-14(2)29-21-18-13-17(9-10-19(18)25-22(23)26-21)15-5-7-16(8-6-15)20(28)24-11-12-27(3)4/h5-10,13-14H,11-12H2,1-4H3,(H,24,28)(H2,23,25,26)
InChIKeyZRFFUBFMURIBEC-UHFFFAOYSA-N
XLogP2.96
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-amino-4-ethoxyquinazolin-6-yl)-N-[2-(dimethylamino)ethyl]benzamide
CID 68602035
4-(2-amino-4-ethoxyquinazolin-6-yl)-N-butylbenzamide
CID 68599915
4-(2-amino-4-ethoxyquinazolin-6-yl)-N,N-dimethylbenzamide
CID 68599659
4-[2-amino-4-(cyclopropylmethoxy)quinazolin-6-yl]-N-propan-2-ylbenzamide
CID 68602490
N-[2-(dimethylamino)ethyl]-4-(2,6-diphenyl-4-pyridinyl)benzamide;dihydrochloride
CID 67598283
4-[2-amino-4-(cyclopropylmethoxy)quinazolin-6-yl]-N-cyclopentylbenzamide
CID 68602190
3-chloro-N-[2-(dimethylamino)ethyl]-4-propan-2-yloxybenzamide
CID 110762419
2-[[5-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-indole-2-carbonyl]amino]ethylcarbamic acid
CID 135122252
N-[2-[di(propan-2-yl)amino]ethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 24560136
N-[4-(2-amino-4-methoxyquinazolin-6-yl)phenyl]acetamide
CID 24962796
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
3-[6-amino-5-(4-phenylphenyl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide
CID 25106863

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-4-propan-2-yloxyquinazolin-6-yl)-N-[2-(dimethylamino)ethyl]benzamide?
The IUPAC name of 4-(2-amino-4-propan-2-yloxyquinazolin-6-yl)-N-[2-(dimethylamino)ethyl]benzamide (CID 68601022) is 4-(2-amino-4-propan-2-yloxyquinazolin-6-yl)-N-[2-(dimethylamino)ethyl]benzamide.
What is the SMILES notation for 4-(2-amino-4-propan-2-yloxyquinazolin-6-yl)-N-[2-(dimethylamino)ethyl]benzamide?
The canonical SMILES for 4-(2-amino-4-propan-2-yloxyquinazolin-6-yl)-N-[2-(dimethylamino)ethyl]benzamide is CC(C)Oc1nc(N)nc2ccc(-c3ccc(C(=O)NCCN(C)C)cc3)cc12.
What is the InChIKey of 4-(2-amino-4-propan-2-yloxyquinazolin-6-yl)-N-[2-(dimethylamino)ethyl]benzamide?
The InChIKey is ZRFFUBFMURIBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-14(2)29-21-18-13-17(9-10-19(18)25-22(23)26-21)15-5-7-16(8-6-15)20(28)24-11-12-27(3)4/h5-10,13-14H,11-12H2,1-4H3,(H,24,28)(H2,23,25,26).
What are the key properties of 4-(2-amino-4-propan-2-yloxyquinazolin-6-yl)-N-[2-(dimethylamino)ethyl]benzamide?
4-(2-amino-4-propan-2-yloxyquinazolin-6-yl)-N-[2-(dimethylamino)ethyl]benzamide has a molecular weight of 393.49 g/mol, XLogP of 2.96, 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-propan-2-yloxyquinazolin-6-yl)-N-[2-(dimethylamino)ethyl]benzamide is sourced from PubChem (CID 68601022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).