[6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-piperidin-1-ylmethanone

C19H22N4O — CID 109341707

IUPAC[6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-piperidin-1-ylmethanone
SMILESO=C(c1cc(N2CCCc3ccccc32)ncn1)N1CCCCC1
InChIInChI=1S/C19H22N4O/c24-19(22-10-4-1-5-11-22)16-13-18(21-14-20-16)23-12-6-8-15-7-2-3-9-17(15)23/h2-3,7,9,13-14H,1,4-6,8,10-12H2
InChIKeyCCDAQUQRMQUGQG-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.19
Rot. Bonds2

About [6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-piperidin-1-ylmethanone

[6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-piperidin-1-ylmethanone (PubChem CID 109341707) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is [6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-piperidin-1-ylmethanone
PubChem CID109341707
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name[6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-piperidin-1-ylmethanone
SMILESO=C(c1cc(N2CCCc3ccccc32)ncn1)N1CCCCC1
InChIInChI=1S/C19H22N4O/c24-19(22-10-4-1-5-11-22)16-13-18(21-14-20-16)23-12-6-8-15-7-2-3-9-17(15)23/h2-3,7,9,13-14H,1,4-6,8,10-12H2
InChIKeyCCDAQUQRMQUGQG-UHFFFAOYSA-N
XLogP3.19
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3,4-dihydro-2H-quinolin-1-yl)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109204447
[4-(3,4-dihydro-2H-quinolin-1-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203703
N-cyclohexyl-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-4-carboxamide
CID 109342051
[6-(3,4-dihydro-2H-quinolin-1-yl)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111976
6-(3,4-dihydro-2H-quinolin-1-yl)-N-propylpyrimidine-4-carboxamide
CID 109338531
6-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109356271
[4-(2,3-dihydroindol-1-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203702
[6-(2,3-dihydroindol-1-yl)-2-phenylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 112852970
6-(3,4-dihydro-2H-quinolin-1-yl)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348421
azepan-1-yl-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]methanone
CID 109352074
[5-(3,4-dihydro-2H-quinolin-1-yl)pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 109275086
N-[4-[[6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112865139

Frequently Asked Questions

What is the IUPAC name of [6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-piperidin-1-ylmethanone (CID 109341707) is [6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-piperidin-1-ylmethanone is O=C(c1cc(N2CCCc3ccccc32)ncn1)N1CCCCC1.
What is the InChIKey of [6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-piperidin-1-ylmethanone?
The InChIKey is CCDAQUQRMQUGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c24-19(22-10-4-1-5-11-22)16-13-18(21-14-20-16)23-12-6-8-15-7-2-3-9-17(15)23/h2-3,7,9,13-14H,1,4-6,8,10-12H2.
What are the key properties of [6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-piperidin-1-ylmethanone?
[6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-piperidin-1-ylmethanone has a molecular weight of 322.41 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 109341707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).