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

C22H22N4O3 — CID 109356729

IUPAC3,4-dihydro-2H-quinolin-1-yl-[6-(3,4-dimethoxyanilino)pyrimidin-4-yl]methanone
SMILESCOc1ccc(Nc2cc(C(=O)N3CCCc4ccccc43)ncn2)cc1OC
InChIInChI=1S/C22H22N4O3/c1-28-19-10-9-16(12-20(19)29-2)25-21-13-17(23-14-24-21)22(27)26-11-5-7-15-6-3-4-8-18(15)26/h3-4,6,8-10,12-14H,5,7,11H2,1-2H3,(H,23,24,25)
InChIKeyGJHXPOHXVUZRRF-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.83
Rot. Bonds5

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

3,4-dihydro-2H-quinolin-1-yl-[6-(3,4-dimethoxyanilino)pyrimidin-4-yl]methanone (PubChem CID 109356729) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 3,4-dihydro-2H-quinolin-1-yl-[6-(3,4-dimethoxyanilino)pyrimidin-4-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-quinolin-1-yl-[6-(3,4-dimethoxyanilino)pyrimidin-4-yl]methanone
PubChem CID109356729
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name3,4-dihydro-2H-quinolin-1-yl-[6-(3,4-dimethoxyanilino)pyrimidin-4-yl]methanone
SMILESCOc1ccc(Nc2cc(C(=O)N3CCCc4ccccc43)ncn2)cc1OC
InChIInChI=1S/C22H22N4O3/c1-28-19-10-9-16(12-20(19)29-2)25-21-13-17(23-14-24-21)22(27)26-11-5-7-15-6-3-4-8-18(15)26/h3-4,6,8-10,12-14H,5,7,11H2,1-2H3,(H,23,24,25)
InChIKeyGJHXPOHXVUZRRF-UHFFFAOYSA-N
XLogP3.83
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-dihydro-2H-quinolin-1-yl-[6-(2-methoxy-5-methylanilino)pyrimidin-4-yl]methanone
CID 109356724
3,4-dihydro-2H-quinolin-1-yl-[2-(3,4-dimethoxyanilino)pyrimidin-4-yl]methanone
CID 109314648
[6-(3,4-dimethoxyanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341750
1-[4-[[6-(2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]amino]phenyl]ethanone
CID 109356633
3,4-dihydro-2H-quinolin-1-yl-[6-(2-methoxyethylamino)pyrimidin-4-yl]methanone
CID 109342821
2,3-dihydroindol-1-yl-[6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]methanone
CID 109356630
[4-(3-chloro-4-methoxyanilino)-2-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 109219532
2,3-dihydroindol-1-yl-[6-(2-methylanilino)pyrimidin-4-yl]methanone
CID 109355900
2,3-dihydroindol-1-yl-[6-(2-propan-2-yloxyanilino)pyrimidin-4-yl]methanone
CID 109356624
3,4-dihydro-2H-quinolin-1-yl-[6-[(4-methylphenyl)methylamino]pyrimidin-4-yl]methanone
CID 109347315
2,3-dihydroindol-1-yl-[5-(2,5-dimethoxyanilino)-2-pyridinyl]methanone
CID 109197766
2,3-dihydroindol-1-yl-[6-(2,4-dimethylanilino)pyrimidin-4-yl]methanone
CID 109356594

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[6-(3,4-dimethoxyanilino)pyrimidin-4-yl]methanone?
The IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[6-(3,4-dimethoxyanilino)pyrimidin-4-yl]methanone (CID 109356729) is 3,4-dihydro-2H-quinolin-1-yl-[6-(3,4-dimethoxyanilino)pyrimidin-4-yl]methanone.
What is the SMILES notation for 3,4-dihydro-2H-quinolin-1-yl-[6-(3,4-dimethoxyanilino)pyrimidin-4-yl]methanone?
The canonical SMILES for 3,4-dihydro-2H-quinolin-1-yl-[6-(3,4-dimethoxyanilino)pyrimidin-4-yl]methanone is COc1ccc(Nc2cc(C(=O)N3CCCc4ccccc43)ncn2)cc1OC.
What is the InChIKey of 3,4-dihydro-2H-quinolin-1-yl-[6-(3,4-dimethoxyanilino)pyrimidin-4-yl]methanone?
The InChIKey is GJHXPOHXVUZRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-28-19-10-9-16(12-20(19)29-2)25-21-13-17(23-14-24-21)22(27)26-11-5-7-15-6-3-4-8-18(15)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-(3,4-dimethoxyanilino)pyrimidin-4-yl]methanone?
3,4-dihydro-2H-quinolin-1-yl-[6-(3,4-dimethoxyanilino)pyrimidin-4-yl]methanone has a molecular weight of 390.44 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-quinolin-1-yl-[6-(3,4-dimethoxyanilino)pyrimidin-4-yl]methanone is sourced from PubChem (CID 109356729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).