(2-amino-6-ethylquinazolin-4-yl)-(3-methylpiperidin-1-yl)methanone

C17H22N4O — CID 25160767

IUPAC(2-amino-6-ethylquinazolin-4-yl)-(3-methylpiperidin-1-yl)methanone
SMILESCCc1ccc2nc(N)nc(C(=O)N3CCCC(C)C3)c2c1
InChIInChI=1S/C17H22N4O/c1-3-12-6-7-14-13(9-12)15(20-17(18)19-14)16(22)21-8-4-5-11(2)10-21/h6-7,9,11H,3-5,8,10H2,1-2H3,(H2,18,19,20)
InChIKeyYQKJESVSLQJLKD-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.65
Rot. Bonds2

About (2-amino-6-ethylquinazolin-4-yl)-(3-methylpiperidin-1-yl)methanone

(2-amino-6-ethylquinazolin-4-yl)-(3-methylpiperidin-1-yl)methanone (PubChem CID 25160767) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is (2-amino-6-ethylquinazolin-4-yl)-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-6-ethylquinazolin-4-yl)-(3-methylpiperidin-1-yl)methanone
PubChem CID25160767
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name(2-amino-6-ethylquinazolin-4-yl)-(3-methylpiperidin-1-yl)methanone
SMILESCCc1ccc2nc(N)nc(C(=O)N3CCCC(C)C3)c2c1
InChIInChI=1S/C17H22N4O/c1-3-12-6-7-14-13(9-12)15(20-17(18)19-14)16(22)21-8-4-5-11(2)10-21/h6-7,9,11H,3-5,8,10H2,1-2H3,(H2,18,19,20)
InChIKeyYQKJESVSLQJLKD-UHFFFAOYSA-N
XLogP2.65
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-ethylphenyl)quinolin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 3532026
(3-methylpiperidin-1-yl)-(3-methylquinoxalin-2-yl)methanone
CID 110856129
[6-(4-ethylanilino)-2-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 112847398
2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]acetamide
CID 52938192
(4-hydrazinylquinolin-2-yl)-(3-methylpiperidin-1-yl)methanone
CID 63375198
3-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]-1-(4-methylpiperazin-1-yl)propan-1-one
CID 59483570
2-(4-ethylphenyl)-8-[(3R)-3-methylpiperidine-1-carbonyl]-1H-pyrazolo[4,3-c]quinolin-3-one
CID 98246244
(6-fluoroquinolin-2-yl)-(3-methylpiperidin-1-yl)methanone
CID 110464455
(4-amino-1-propylpyrazol-3-yl)-(3-methylpiperidin-1-yl)methanone
CID 132586470
2-amino-N-butan-2-yl-6-cyclobutylquinazoline-4-carboxamide
CID 174668363
(3,6-dichloro-2-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 43179258
3-[4-(1,3,3a,7a-tetrahydroisoindole-2-carbonyl)-2-aminoquinazolin-6-yl]-N-[2-(dimethylamino)ethyl]propanamide
CID 70850254

Frequently Asked Questions

What is the IUPAC name of (2-amino-6-ethylquinazolin-4-yl)-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of (2-amino-6-ethylquinazolin-4-yl)-(3-methylpiperidin-1-yl)methanone (CID 25160767) is (2-amino-6-ethylquinazolin-4-yl)-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-amino-6-ethylquinazolin-4-yl)-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for (2-amino-6-ethylquinazolin-4-yl)-(3-methylpiperidin-1-yl)methanone is CCc1ccc2nc(N)nc(C(=O)N3CCCC(C)C3)c2c1.
What is the InChIKey of (2-amino-6-ethylquinazolin-4-yl)-(3-methylpiperidin-1-yl)methanone?
The InChIKey is YQKJESVSLQJLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-3-12-6-7-14-13(9-12)15(20-17(18)19-14)16(22)21-8-4-5-11(2)10-21/h6-7,9,11H,3-5,8,10H2,1-2H3,(H2,18,19,20).
What are the key properties of (2-amino-6-ethylquinazolin-4-yl)-(3-methylpiperidin-1-yl)methanone?
(2-amino-6-ethylquinazolin-4-yl)-(3-methylpiperidin-1-yl)methanone has a molecular weight of 298.39 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-6-ethylquinazolin-4-yl)-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 25160767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).