3,4-dihydro-2H-quinolin-1-yl-[2-(N-ethylanilino)pyrimidin-5-yl]methanone

C22H22N4O — CID 109266231

IUPAC3,4-dihydro-2H-quinolin-1-yl-[2-(N-ethylanilino)pyrimidin-5-yl]methanone
SMILESCCN(c1ccccc1)c1ncc(C(=O)N2CCCc3ccccc32)cn1
InChIInChI=1S/C22H22N4O/c1-2-25(19-11-4-3-5-12-19)22-23-15-18(16-24-22)21(27)26-14-8-10-17-9-6-7-13-20(17)26/h3-7,9,11-13,15-16H,2,8,10,14H2,1H3
InChIKeyRSJGBCSCRROTJC-UHFFFAOYSA-N
MW358.45 g/mol
LogP4.23
Rot. Bonds4

About 3,4-dihydro-2H-quinolin-1-yl-[2-(N-ethylanilino)pyrimidin-5-yl]methanone

3,4-dihydro-2H-quinolin-1-yl-[2-(N-ethylanilino)pyrimidin-5-yl]methanone (PubChem CID 109266231) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is 3,4-dihydro-2H-quinolin-1-yl-[2-(N-ethylanilino)pyrimidin-5-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-quinolin-1-yl-[2-(N-ethylanilino)pyrimidin-5-yl]methanone
PubChem CID109266231
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC Name3,4-dihydro-2H-quinolin-1-yl-[2-(N-ethylanilino)pyrimidin-5-yl]methanone
SMILESCCN(c1ccccc1)c1ncc(C(=O)N2CCCc3ccccc32)cn1
InChIInChI=1S/C22H22N4O/c1-2-25(19-11-4-3-5-12-19)22-23-15-18(16-24-22)21(27)26-14-8-10-17-9-6-7-13-20(17)26/h3-7,9,11-13,15-16H,2,8,10,14H2,1H3
InChIKeyRSJGBCSCRROTJC-UHFFFAOYSA-N
XLogP4.23
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(N-ethylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109249997
3,4-dihydro-2H-quinolin-1-yl-[6-(N-ethylanilino)pyrimidin-4-yl]methanone
CID 109356710
[2-[benzyl(ethyl)amino]pyrimidin-5-yl]-(2,3-dihydroindol-1-yl)methanone
CID 109258457
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-ethyl-N-phenylpyridine-2-carboxamide
CID 109091644
[2-(tert-butylamino)pyrimidin-5-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109262976
3,4-dihydro-2H-quinolin-1-yl-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]methanone
CID 109250910
3,4-dihydro-2H-quinolin-1-yl-[6-(ethylamino)-3-pyridinyl]methanone
CID 62172128
3,4-dihydro-2H-quinolin-1-yl-(6-fluoro-3-pyridinyl)methanone
CID 63972350
[2-[4-(diethylamino)anilino]pyrimidin-5-yl]-(2,3-dihydroindol-1-yl)methanone
CID 109266112
methyl 6-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-3-carboxylate
CID 31676778
[2-[benzyl(ethyl)amino]pyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109306718
[5-[benzyl(methyl)amino]-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109189267

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[2-(N-ethylanilino)pyrimidin-5-yl]methanone?
The IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[2-(N-ethylanilino)pyrimidin-5-yl]methanone (CID 109266231) is 3,4-dihydro-2H-quinolin-1-yl-[2-(N-ethylanilino)pyrimidin-5-yl]methanone.
What is the SMILES notation for 3,4-dihydro-2H-quinolin-1-yl-[2-(N-ethylanilino)pyrimidin-5-yl]methanone?
The canonical SMILES for 3,4-dihydro-2H-quinolin-1-yl-[2-(N-ethylanilino)pyrimidin-5-yl]methanone is CCN(c1ccccc1)c1ncc(C(=O)N2CCCc3ccccc32)cn1.
What is the InChIKey of 3,4-dihydro-2H-quinolin-1-yl-[2-(N-ethylanilino)pyrimidin-5-yl]methanone?
The InChIKey is RSJGBCSCRROTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c1-2-25(19-11-4-3-5-12-19)22-23-15-18(16-24-22)21(27)26-14-8-10-17-9-6-7-13-20(17)26/h3-7,9,11-13,15-16H,2,8,10,14H2,1H3.
What are the key properties of 3,4-dihydro-2H-quinolin-1-yl-[2-(N-ethylanilino)pyrimidin-5-yl]methanone?
3,4-dihydro-2H-quinolin-1-yl-[2-(N-ethylanilino)pyrimidin-5-yl]methanone has a molecular weight of 358.45 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-quinolin-1-yl-[2-(N-ethylanilino)pyrimidin-5-yl]methanone is sourced from PubChem (CID 109266231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).