[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone

C21H26N4O — CID 109334352

IUPAC[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCCc3ccccc32)nc(N2CCCCCC2)n1
InChIInChI=1S/C21H26N4O/c1-16-15-18(23-21(22-16)24-12-6-2-3-7-13-24)20(26)25-14-8-10-17-9-4-5-11-19(17)25/h4-5,9,11,15H,2-3,6-8,10,12-14H2,1H3
InChIKeyNEQSESBOMJDQOF-UHFFFAOYSA-N
MW350.47 g/mol
LogP3.76
Rot. Bonds2

About [2-(azepan-1-yl)-6-methylpyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone

[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 109334352) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is [2-(azepan-1-yl)-6-methylpyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID109334352
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCCc3ccccc32)nc(N2CCCCCC2)n1
InChIInChI=1S/C21H26N4O/c1-16-15-18(23-21(22-16)24-12-6-2-3-7-13-24)20(26)25-14-8-10-17-9-4-5-11-19(17)25/h4-5,9,11,15H,2-3,6-8,10,12-14H2,1H3
InChIKeyNEQSESBOMJDQOF-UHFFFAOYSA-N
XLogP3.76
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dihydro-2H-quinolin-1-yl-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone
CID 109322335
3,4-dihydro-2H-quinolin-1-yl-(6-piperidin-1-yl-2-pyridinyl)methanone
CID 84573646
[6-(azepan-1-yl)-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 84573748
[2-[benzyl(ethyl)amino]-6-methylpyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109329497
3,4-dihydro-2H-quinolin-1-yl-[6-methyl-2-(4-propan-2-ylanilino)pyrimidin-4-yl]methanone
CID 109335576
[2-(2,6-difluoroanilino)-6-methylpyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109335606
3,4-dihydro-2H-quinolin-1-yl-[2-(2-fluoroanilino)-6-methylpyrimidin-4-yl]methanone
CID 109335577
[5-(azepan-1-yl)-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109196863
[6-(2,3-dihydroindol-1-yl)-2-methylpyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 112848635
3,4-dihydro-2H-quinolin-1-yl-[2-[(4-fluorophenyl)methylamino]-6-methylpyrimidin-4-yl]methanone
CID 109328663
[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109331556
[6-(cyclopropylamino)-2-methylpyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109360860

Frequently Asked Questions

What is the IUPAC name of [2-(azepan-1-yl)-6-methylpyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of [2-(azepan-1-yl)-6-methylpyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone (CID 109334352) is [2-(azepan-1-yl)-6-methylpyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for [2-(azepan-1-yl)-6-methylpyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for [2-(azepan-1-yl)-6-methylpyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone is Cc1cc(C(=O)N2CCCc3ccccc32)nc(N2CCCCCC2)n1.
What is the InChIKey of [2-(azepan-1-yl)-6-methylpyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is NEQSESBOMJDQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-16-15-18(23-21(22-16)24-12-6-2-3-7-13-24)20(26)25-14-8-10-17-9-4-5-11-19(17)25/h4-5,9,11,15H,2-3,6-8,10,12-14H2,1H3.
What are the key properties of [2-(azepan-1-yl)-6-methylpyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 350.47 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(azepan-1-yl)-6-methylpyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 109334352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).