[2-[benzyl(ethyl)amino]pyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone

C23H24N4O — CID 109306718

IUPAC[2-[benzyl(ethyl)amino]pyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCCN(Cc1ccccc1)c1nccc(C(=O)N2CCCc3ccccc32)n1
InChIInChI=1S/C23H24N4O/c1-2-26(17-18-9-4-3-5-10-18)23-24-15-14-20(25-23)22(28)27-16-8-12-19-11-6-7-13-21(19)27/h3-7,9-11,13-15H,2,8,12,16-17H2,1H3
InChIKeyCPDYMJDZSGYUPV-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.10
Rot. Bonds5

About [2-[benzyl(ethyl)amino]pyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone

[2-[benzyl(ethyl)amino]pyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 109306718) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is [2-[benzyl(ethyl)amino]pyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name[2-[benzyl(ethyl)amino]pyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID109306718
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name[2-[benzyl(ethyl)amino]pyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCCN(Cc1ccccc1)c1nccc(C(=O)N2CCCc3ccccc32)n1
InChIInChI=1S/C23H24N4O/c1-2-26(17-18-9-4-3-5-10-18)23-24-15-14-20(25-23)22(28)27-16-8-12-19-11-6-7-13-21(19)27/h3-7,9-11,13-15H,2,8,12,16-17H2,1H3
InChIKeyCPDYMJDZSGYUPV-UHFFFAOYSA-N
XLogP4.10
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-[benzyl(ethyl)amino]pyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone with MolForge

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Related Compounds

[2-[benzyl(ethyl)amino]-6-methylpyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109329497
azepan-1-yl-[2-[benzyl(ethyl)amino]pyrimidin-4-yl]methanone
CID 109306711
[2-[benzyl(ethyl)amino]pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109302213
[2-[benzyl(ethyl)amino]pyrimidin-5-yl]-(2,3-dihydroindol-1-yl)methanone
CID 109258457
[5-[benzyl(methyl)amino]-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109189267
[2-(butylamino)pyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109296398
6-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-2-carboxylic acid
CID 43558372
N-benzyl-2-(3,4-dihydro-2H-quinolin-1-yl)-N-ethylpyrimidin-4-amine
CID 112892929
3,4-dihydro-2H-quinolin-1-yl-[2-(pyridin-4-ylmethylamino)pyrimidin-4-yl]methanone
CID 109307503
2,3-dihydroindol-1-yl-[2-(N-ethyl-3-methylanilino)pyrimidin-4-yl]methanone
CID 109314535
N-butyl-6-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-methylpyridine-2-carboxamide
CID 109099538
3,4-dihydro-2H-quinolin-1-yl-[2-[(2-methylphenyl)methylamino]pyrimidin-4-yl]methanone
CID 109303958

Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(ethyl)amino]pyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of [2-[benzyl(ethyl)amino]pyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone (CID 109306718) is [2-[benzyl(ethyl)amino]pyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for [2-[benzyl(ethyl)amino]pyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for [2-[benzyl(ethyl)amino]pyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone is CCN(Cc1ccccc1)c1nccc(C(=O)N2CCCc3ccccc32)n1.
What is the InChIKey of [2-[benzyl(ethyl)amino]pyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is CPDYMJDZSGYUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c1-2-26(17-18-9-4-3-5-10-18)23-24-15-14-20(25-23)22(28)27-16-8-12-19-11-6-7-13-21(19)27/h3-7,9-11,13-15H,2,8,12,16-17H2,1H3.
What are the key properties of [2-[benzyl(ethyl)amino]pyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
[2-[benzyl(ethyl)amino]pyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 372.47 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[benzyl(ethyl)amino]pyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 109306718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).