3,4-dihydro-2H-quinolin-1-yl-[6-(2-methoxy-5-methylanilino)pyrimidin-4-yl]methanone

C22H22N4O2 — CID 109356724

IUPAC3,4-dihydro-2H-quinolin-1-yl-[6-(2-methoxy-5-methylanilino)pyrimidin-4-yl]methanone
SMILESCOc1ccc(C)cc1Nc1cc(C(=O)N2CCCc3ccccc32)ncn1
InChIInChI=1S/C22H22N4O2/c1-15-9-10-20(28-2)17(12-15)25-21-13-18(23-14-24-21)22(27)26-11-5-7-16-6-3-4-8-19(16)26/h3-4,6,8-10,12-14H,5,7,11H2,1-2H3,(H,23,24,25)
InChIKeyHXKSZHGLBZOJGU-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.13
Rot. Bonds4

About 3,4-dihydro-2H-quinolin-1-yl-[6-(2-methoxy-5-methylanilino)pyrimidin-4-yl]methanone

3,4-dihydro-2H-quinolin-1-yl-[6-(2-methoxy-5-methylanilino)pyrimidin-4-yl]methanone (PubChem CID 109356724) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 3,4-dihydro-2H-quinolin-1-yl-[6-(2-methoxy-5-methylanilino)pyrimidin-4-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-quinolin-1-yl-[6-(2-methoxy-5-methylanilino)pyrimidin-4-yl]methanone
PubChem CID109356724
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name3,4-dihydro-2H-quinolin-1-yl-[6-(2-methoxy-5-methylanilino)pyrimidin-4-yl]methanone
SMILESCOc1ccc(C)cc1Nc1cc(C(=O)N2CCCc3ccccc32)ncn1
InChIInChI=1S/C22H22N4O2/c1-15-9-10-20(28-2)17(12-15)25-21-13-18(23-14-24-21)22(27)26-11-5-7-16-6-3-4-8-19(16)26/h3-4,6,8-10,12-14H,5,7,11H2,1-2H3,(H,23,24,25)
InChIKeyHXKSZHGLBZOJGU-UHFFFAOYSA-N
XLogP4.13
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dihydro-2H-quinolin-1-yl-[6-(3,4-dimethoxyanilino)pyrimidin-4-yl]methanone
CID 109356729
2,3-dihydroindol-1-yl-[6-(2,4-dimethylanilino)pyrimidin-4-yl]methanone
CID 109356594
2,3-dihydroindol-1-yl-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]methanone
CID 109127391
3,4-dihydro-2H-quinolin-1-yl-[5-(2-methoxy-5-methylanilino)-3-pyridinyl]methanone
CID 109242568
2,3-dihydroindol-1-yl-[6-(2-methylanilino)pyrimidin-4-yl]methanone
CID 109355900
3,4-dihydro-2H-quinolin-1-yl-[6-[(4-methylphenyl)methylamino]pyrimidin-4-yl]methanone
CID 109347315
1-[4-[6-(2-methoxy-5-methylanilino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109346083
3,4-dihydro-2H-quinolin-1-yl-[6-(2-methoxyethylamino)pyrimidin-4-yl]methanone
CID 109342821
6-(2,3-dihydroindol-1-yl)-N-(2-methoxy-5-methylphenyl)pyrimidin-4-amine
CID 112865076
2,3-dihydroindol-1-yl-[6-(2-propan-2-yloxyanilino)pyrimidin-4-yl]methanone
CID 109356624
2,3-dihydroindol-1-yl-[6-(2-propan-2-ylanilino)pyrimidin-4-yl]methanone
CID 109356603
3,4-dihydro-2H-quinolin-1-yl-[5-(2,4-dimethoxyanilino)pyrazin-2-yl]methanone
CID 109290596

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[6-(2-methoxy-5-methylanilino)pyrimidin-4-yl]methanone?
The IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[6-(2-methoxy-5-methylanilino)pyrimidin-4-yl]methanone (CID 109356724) is 3,4-dihydro-2H-quinolin-1-yl-[6-(2-methoxy-5-methylanilino)pyrimidin-4-yl]methanone.
What is the SMILES notation for 3,4-dihydro-2H-quinolin-1-yl-[6-(2-methoxy-5-methylanilino)pyrimidin-4-yl]methanone?
The canonical SMILES for 3,4-dihydro-2H-quinolin-1-yl-[6-(2-methoxy-5-methylanilino)pyrimidin-4-yl]methanone is COc1ccc(C)cc1Nc1cc(C(=O)N2CCCc3ccccc32)ncn1.
What is the InChIKey of 3,4-dihydro-2H-quinolin-1-yl-[6-(2-methoxy-5-methylanilino)pyrimidin-4-yl]methanone?
The InChIKey is HXKSZHGLBZOJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-15-9-10-20(28-2)17(12-15)25-21-13-18(23-14-24-21)22(27)26-11-5-7-16-6-3-4-8-19(16)26/h3-4,6,8-10,12-14H,5,7,11H2,1-2H3,(H,23,24,25).
What are the key properties of 3,4-dihydro-2H-quinolin-1-yl-[6-(2-methoxy-5-methylanilino)pyrimidin-4-yl]methanone?
3,4-dihydro-2H-quinolin-1-yl-[6-(2-methoxy-5-methylanilino)pyrimidin-4-yl]methanone has a molecular weight of 374.44 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-quinolin-1-yl-[6-(2-methoxy-5-methylanilino)pyrimidin-4-yl]methanone is sourced from PubChem (CID 109356724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).