5-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)-1H-pyrimidin-6-one

C14H15N3O — CID 3073830

IUPAC5-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)-1H-pyrimidin-6-one
SMILESCN1CCC(c2cnc[nH]c2=O)c2ccccc21
InChIInChI=1S/C14H15N3O/c1-17-7-6-10(11-4-2-3-5-13(11)17)12-8-15-9-16-14(12)18/h2-5,8-10H,6-7H2,1H3,(H,15,16,18)
InChIKeyIDWBAAQXPFBBRZ-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.74
Rot. Bonds1

About 5-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)-1H-pyrimidin-6-one

5-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)-1H-pyrimidin-6-one (PubChem CID 3073830) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 5-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)-1H-pyrimidin-6-one
PubChem CID3073830
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name5-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)-1H-pyrimidin-6-one
SMILESCN1CCC(c2cnc[nH]c2=O)c2ccccc21
InChIInChI=1S/C14H15N3O/c1-17-7-6-10(11-4-2-3-5-13(11)17)12-8-15-9-16-14(12)18/h2-5,8-10H,6-7H2,1H3,(H,15,16,18)
InChIKeyIDWBAAQXPFBBRZ-UHFFFAOYSA-N
XLogP1.74
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,10-Dihydro-3H-pyrimido[4,5-b]quinolin-4-one
CID 135692621
1'-Methyl-1'H-spiro[piperidine-4,4'-quinolin]-2'(3'H)-one
CID 19366951
N-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 56816991
10-Ethyl-5,10-dihydro-3H-pyrimido[4,5-b]quinolin-4-one
CID 136023327
9-fluoro-6,10b-dihydro-1H-benzo[c][2,7]naphthyridin-5-one
CID 141943725
Tetrahydropyrimido[4,5-b]quinolin-4-one
CID 129788956
(6aS,10aS)-5,7-dimethyl-6a,10a-dihydrophenanthridin-6-one
CID 131859713
4-Methyl-1-prop-2-enyl-3,4-dihydroquinolin-2-one
CID 134855463
[(4S)-1,4-dimethyl-4H-quinolin-3-yl]-piperidin-1-ylmethanone
CID 135031213
(4S)-N,N,1,4-tetramethyl-4H-quinoline-3-carboxamide
CID 135044258
6,11-Dimethyl-3,5,6,11-tetrahydro-4H-benzo[b]pyrimido[5,4-f]azepin-4-one
CID 139062251
7-fluoro-4-(2-propan-2-yliminopyridine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 53499455

Frequently Asked Questions

What is the IUPAC name of 5-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)-1H-pyrimidin-6-one (CID 3073830) is 5-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)-1H-pyrimidin-6-one is CN1CCC(c2cnc[nH]c2=O)c2ccccc21.
What is the InChIKey of 5-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)-1H-pyrimidin-6-one?
The InChIKey is IDWBAAQXPFBBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-17-7-6-10(11-4-2-3-5-13(11)17)12-8-15-9-16-14(12)18/h2-5,8-10H,6-7H2,1H3,(H,15,16,18).
What are the key properties of 5-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)-1H-pyrimidin-6-one?
5-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)-1H-pyrimidin-6-one has a molecular weight of 241.29 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 3073830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).