1-[6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]-3,4-dihydro-2H-quinoline

C22H22N4 — CID 112865154

IUPAC1-[6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]-3,4-dihydro-2H-quinoline
SMILESCC1Cc2ccccc2N1c1cc(N2CCCc3ccccc32)ncn1
InChIInChI=1S/C22H22N4/c1-16-13-18-8-3-5-11-20(18)26(16)22-14-21(23-15-24-22)25-12-6-9-17-7-2-4-10-19(17)25/h2-5,7-8,10-11,14-16H,6,9,12-13H2,1H3
InChIKeyLSAZQHCUOGWKRG-UHFFFAOYSA-N
MW342.45 g/mol
LogP4.64
Rot. Bonds2

About 1-[6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]-3,4-dihydro-2H-quinoline

1-[6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]-3,4-dihydro-2H-quinoline (PubChem CID 112865154) has the molecular formula C22H22N4 and a molecular weight of 342.45 g/mol. Its IUPAC name is 1-[6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-[6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]-3,4-dihydro-2H-quinoline
PubChem CID112865154
Molecular FormulaC22H22N4
Molecular Weight342.45 g/mol
Exact Mass342.18
IUPAC Name1-[6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]-3,4-dihydro-2H-quinoline
SMILESCC1Cc2ccccc2N1c1cc(N2CCCc3ccccc32)ncn1
InChIInChI=1S/C22H22N4/c1-16-13-18-8-3-5-11-20(18)26(16)22-14-21(23-15-24-22)25-12-6-9-17-7-2-4-10-19(17)25/h2-5,7-8,10-11,14-16H,6,9,12-13H2,1H3
InChIKeyLSAZQHCUOGWKRG-UHFFFAOYSA-N
XLogP4.64
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]-3,4-dihydro-2H-quinoline with MolForge

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Related Compounds

1-[2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]-3,4-dihydro-2H-quinoline
CID 112877328
2-methyl-1-(6-piperidin-1-ylpyrimidin-4-yl)-2,3-dihydroindole
CID 112856161
[6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]hydrazine
CID 80916971
N-cyclopropyl-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine
CID 112854768
N-ethyl-6-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)pyrimidin-4-amine
CID 80847372
[6-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109162500
1-[6-(azepan-1-yl)-2-methylpyrimidin-4-yl]-2-methyl-2,3-dihydroindole
CID 112876835
N-cyclopropyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide
CID 109339394
[6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341707
2-(3,4-dihydro-2H-quinolin-1-yl)pyridine-4-carbaldehyde
CID 115042593
N-(3-bromophenyl)-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine
CID 112867002
N-cyclohexyl-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-4-carboxamide
CID 109342051

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-[6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]-3,4-dihydro-2H-quinoline (CID 112865154) is 1-[6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-[6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-[6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]-3,4-dihydro-2H-quinoline is CC1Cc2ccccc2N1c1cc(N2CCCc3ccccc32)ncn1.
What is the InChIKey of 1-[6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]-3,4-dihydro-2H-quinoline?
The InChIKey is LSAZQHCUOGWKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4/c1-16-13-18-8-3-5-11-20(18)26(16)22-14-21(23-15-24-22)25-12-6-9-17-7-2-4-10-19(17)25/h2-5,7-8,10-11,14-16H,6,9,12-13H2,1H3.
What are the key properties of 1-[6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]-3,4-dihydro-2H-quinoline?
1-[6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]-3,4-dihydro-2H-quinoline has a molecular weight of 342.45 g/mol, XLogP of 4.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 112865154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).