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

C17H20N4O2 — CID 109342821

IUPAC3,4-dihydro-2H-quinolin-1-yl-[6-(2-methoxyethylamino)pyrimidin-4-yl]methanone
SMILESCOCCNc1cc(C(=O)N2CCCc3ccccc32)ncn1
InChIInChI=1S/C17H20N4O2/c1-23-10-8-18-16-11-14(19-12-20-16)17(22)21-9-4-6-13-5-2-3-7-15(13)21/h2-3,5,7,11-12H,4,6,8-10H2,1H3,(H,18,19,20)
InChIKeyZPSPWPGPJZBURL-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.13
Rot. Bonds5

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

3,4-dihydro-2H-quinolin-1-yl-[6-(2-methoxyethylamino)pyrimidin-4-yl]methanone (PubChem CID 109342821) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 3,4-dihydro-2H-quinolin-1-yl-[6-(2-methoxyethylamino)pyrimidin-4-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-quinolin-1-yl-[6-(2-methoxyethylamino)pyrimidin-4-yl]methanone
PubChem CID109342821
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name3,4-dihydro-2H-quinolin-1-yl-[6-(2-methoxyethylamino)pyrimidin-4-yl]methanone
SMILESCOCCNc1cc(C(=O)N2CCCc3ccccc32)ncn1
InChIInChI=1S/C17H20N4O2/c1-23-10-8-18-16-11-14(19-12-20-16)17(22)21-9-4-6-13-5-2-3-7-15(13)21/h2-3,5,7,11-12H,4,6,8-10H2,1H3,(H,18,19,20)
InChIKeyZPSPWPGPJZBURL-UHFFFAOYSA-N
XLogP2.13
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3,4-dihydro-2H-quinolin-1-yl-[6-(2-methoxyethylamino)pyrimidin-4-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-dihydro-2H-quinolin-1-yl-[6-[(4-methylphenyl)methylamino]pyrimidin-4-yl]methanone
CID 109347315
3,4-dihydro-2H-quinolin-1-yl-[6-(3,4-dimethoxyanilino)pyrimidin-4-yl]methanone
CID 109356729
3,4-dihydro-2H-quinolin-1-yl-[6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]methanone
CID 109349894
3,4-dihydro-2H-quinolin-1-yl-[6-(2-methoxy-5-methylanilino)pyrimidin-4-yl]methanone
CID 109356724
[4-(2-fluorophenyl)piperazin-1-yl]-[6-(2-methoxyethylamino)pyrimidin-4-yl]methanone
CID 109342792
2,3-dihydroindol-1-yl-[6-[(3-methylphenyl)methylamino]pyrimidin-4-yl]methanone
CID 109347072
3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(2-methoxyethyl)benzamide
CID 109052567
1-[4-[[6-(2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]amino]phenyl]ethanone
CID 109356633
3,4-dihydro-2H-quinolin-1-yl-[6-[(1,1-dioxothiolan-3-yl)amino]pyrimidin-4-yl]methanone
CID 109351741
3,4-dihydro-2H-quinolin-1-yl-[5-[2-(2-methoxyphenyl)ethylamino]pyrazin-2-yl]methanone
CID 109284671
2,3-dihydroindol-1-yl-[6-(2-methylanilino)pyrimidin-4-yl]methanone
CID 109355900
2,3-dihydroindol-1-yl-[5-(2-methoxyethylamino)-3-pyridinyl]methanone
CID 109227903

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[6-(2-methoxyethylamino)pyrimidin-4-yl]methanone?
The IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[6-(2-methoxyethylamino)pyrimidin-4-yl]methanone (CID 109342821) is 3,4-dihydro-2H-quinolin-1-yl-[6-(2-methoxyethylamino)pyrimidin-4-yl]methanone.
What is the SMILES notation for 3,4-dihydro-2H-quinolin-1-yl-[6-(2-methoxyethylamino)pyrimidin-4-yl]methanone?
The canonical SMILES for 3,4-dihydro-2H-quinolin-1-yl-[6-(2-methoxyethylamino)pyrimidin-4-yl]methanone is COCCNc1cc(C(=O)N2CCCc3ccccc32)ncn1.
What is the InChIKey of 3,4-dihydro-2H-quinolin-1-yl-[6-(2-methoxyethylamino)pyrimidin-4-yl]methanone?
The InChIKey is ZPSPWPGPJZBURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-23-10-8-18-16-11-14(19-12-20-16)17(22)21-9-4-6-13-5-2-3-7-15(13)21/h2-3,5,7,11-12H,4,6,8-10H2,1H3,(H,18,19,20).
What are the key properties of 3,4-dihydro-2H-quinolin-1-yl-[6-(2-methoxyethylamino)pyrimidin-4-yl]methanone?
3,4-dihydro-2H-quinolin-1-yl-[6-(2-methoxyethylamino)pyrimidin-4-yl]methanone has a molecular weight of 312.37 g/mol, XLogP of 2.13, 5 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-methoxyethylamino)pyrimidin-4-yl]methanone is sourced from PubChem (CID 109342821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).