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

C21H20N4O2 — CID 109266253

IUPAC3,4-dihydro-2H-quinolin-1-yl-[2-(2-methoxyanilino)pyrimidin-5-yl]methanone
SMILESCOc1ccccc1Nc1ncc(C(=O)N2CCCc3ccccc32)cn1
InChIInChI=1S/C21H20N4O2/c1-27-19-11-5-3-9-17(19)24-21-22-13-16(14-23-21)20(26)25-12-6-8-15-7-2-4-10-18(15)25/h2-5,7,9-11,13-14H,6,8,12H2,1H3,(H,22,23,24)
InChIKeyQPVIWRHZZJIWSL-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.82
Rot. Bonds4

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

3,4-dihydro-2H-quinolin-1-yl-[2-(2-methoxyanilino)pyrimidin-5-yl]methanone (PubChem CID 109266253) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 3,4-dihydro-2H-quinolin-1-yl-[2-(2-methoxyanilino)pyrimidin-5-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-quinolin-1-yl-[2-(2-methoxyanilino)pyrimidin-5-yl]methanone
PubChem CID109266253
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name3,4-dihydro-2H-quinolin-1-yl-[2-(2-methoxyanilino)pyrimidin-5-yl]methanone
SMILESCOc1ccccc1Nc1ncc(C(=O)N2CCCc3ccccc32)cn1
InChIInChI=1S/C21H20N4O2/c1-27-19-11-5-3-9-17(19)24-21-22-13-16(14-23-21)20(26)25-12-6-8-15-7-2-4-10-18(15)25/h2-5,7,9-11,13-14H,6,8,12H2,1H3,(H,22,23,24)
InChIKeyQPVIWRHZZJIWSL-UHFFFAOYSA-N
XLogP3.82
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dihydroindol-1-yl-[2-(2-methylanilino)pyrimidin-5-yl]methanone
CID 109265381
[2-(tert-butylamino)pyrimidin-5-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109262976
[2-(5-chloro-2-methylanilino)pyrimidin-5-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109266246
2,3-dihydroindol-1-yl-[2-(4-methoxyanilino)pyrimidin-5-yl]methanone
CID 109266092
[2-(2-methoxyanilino)pyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 109253755
3,4-dihydro-2H-quinolin-1-yl-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]methanone
CID 109157070
(2-anilinopyrimidin-5-yl)-(2,3-dihydroindol-1-yl)methanone
CID 109265177
2,3-dihydroindol-1-yl-[2-(2-methoxyanilino)pyrimidin-4-yl]methanone
CID 109314490
3,4-dihydro-2H-quinolin-1-yl-(2,6-dimethoxyphenyl)methanone
CID 5061013
3,4-dihydro-2H-quinolin-1-yl-(2-methoxyphenyl)methanone
CID 903128
3,4-dihydro-2H-quinolin-1-yl-[5-(2-methoxy-5-methylanilino)-3-pyridinyl]methanone
CID 109242568
3,4-dihydro-2H-quinolin-1-yl-(3-methoxy-4-methylphenyl)methanone
CID 51229053

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[2-(2-methoxyanilino)pyrimidin-5-yl]methanone?
The IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[2-(2-methoxyanilino)pyrimidin-5-yl]methanone (CID 109266253) is 3,4-dihydro-2H-quinolin-1-yl-[2-(2-methoxyanilino)pyrimidin-5-yl]methanone.
What is the SMILES notation for 3,4-dihydro-2H-quinolin-1-yl-[2-(2-methoxyanilino)pyrimidin-5-yl]methanone?
The canonical SMILES for 3,4-dihydro-2H-quinolin-1-yl-[2-(2-methoxyanilino)pyrimidin-5-yl]methanone is COc1ccccc1Nc1ncc(C(=O)N2CCCc3ccccc32)cn1.
What is the InChIKey of 3,4-dihydro-2H-quinolin-1-yl-[2-(2-methoxyanilino)pyrimidin-5-yl]methanone?
The InChIKey is QPVIWRHZZJIWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-27-19-11-5-3-9-17(19)24-21-22-13-16(14-23-21)20(26)25-12-6-8-15-7-2-4-10-18(15)25/h2-5,7,9-11,13-14H,6,8,12H2,1H3,(H,22,23,24).
What are the key properties of 3,4-dihydro-2H-quinolin-1-yl-[2-(2-methoxyanilino)pyrimidin-5-yl]methanone?
3,4-dihydro-2H-quinolin-1-yl-[2-(2-methoxyanilino)pyrimidin-5-yl]methanone has a molecular weight of 360.42 g/mol, XLogP of 3.82, 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-[2-(2-methoxyanilino)pyrimidin-5-yl]methanone is sourced from PubChem (CID 109266253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).