1-(1-methylpyrazol-4-yl)-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]ethanol

C19H18N6O — CID 133323500

IUPAC1-(1-methylpyrazol-4-yl)-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]ethanol
SMILESCn1cc(C(O)CNc2nc(-c3cccnc3)nc3ccccc23)cn1
InChIInChI=1S/C19H18N6O/c1-25-12-14(10-22-25)17(26)11-21-19-15-6-2-3-7-16(15)23-18(24-19)13-5-4-8-20-9-13/h2-10,12,17,26H,11H2,1H3,(H,21,23,24)
InChIKeyBROGAOTWFFADLJ-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.57
Rot. Bonds5

About 1-(1-methylpyrazol-4-yl)-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]ethanol

1-(1-methylpyrazol-4-yl)-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]ethanol (PubChem CID 133323500) has the molecular formula C19H18N6O and a molecular weight of 346.39 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]ethanol.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]ethanol
PubChem CID133323500
Molecular FormulaC19H18N6O
Molecular Weight346.39 g/mol
Exact Mass346.15
IUPAC Name1-(1-methylpyrazol-4-yl)-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]ethanol
SMILESCn1cc(C(O)CNc2nc(-c3cccnc3)nc3ccccc23)cn1
InChIInChI=1S/C19H18N6O/c1-25-12-14(10-22-25)17(26)11-21-19-15-6-2-3-7-16(15)23-18(24-19)13-5-4-8-20-9-13/h2-10,12,17,26H,11H2,1H3,(H,21,23,24)
InChIKeyBROGAOTWFFADLJ-UHFFFAOYSA-N
XLogP2.57
TPSA88.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-(1-methylpyrazol-4-yl)-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]ethanol with MolForge

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Related Compounds

N-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-2-pyridin-3-ylquinazolin-4-amine
CID 30727958
N-prop-2-ynyl-2-pyridin-3-ylquinazolin-4-amine
CID 9251922
N-propan-2-yl-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]acetamide
CID 8567435
N-methyl-2-pyridin-3-ylquinazolin-4-amine;propane
CID 142952952
N-[(2-methylphenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 9251567
N-(2-cyclopropylethyl)-2-pyridin-3-ylquinazolin-4-amine
CID 133324203
N-[(5-methylpyrazin-2-yl)methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 3234103
N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-2-pyridin-3-ylquinazolin-4-amine
CID 31489441
N-[(2S)-3-methylbutan-2-yl]-2-pyridin-3-ylquinazolin-4-amine
CID 9111435
N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-2-pyridin-3-ylquinazolin-4-amine
CID 133293050
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]-2-pyridin-3-ylquinazolin-4-amine
CID 2553407
N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 133344251

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]ethanol?
The IUPAC name of 1-(1-methylpyrazol-4-yl)-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]ethanol (CID 133323500) is 1-(1-methylpyrazol-4-yl)-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]ethanol.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]ethanol?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]ethanol is Cn1cc(C(O)CNc2nc(-c3cccnc3)nc3ccccc23)cn1.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]ethanol?
The InChIKey is BROGAOTWFFADLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O/c1-25-12-14(10-22-25)17(26)11-21-19-15-6-2-3-7-16(15)23-18(24-19)13-5-4-8-20-9-13/h2-10,12,17,26H,11H2,1H3,(H,21,23,24).
What are the key properties of 1-(1-methylpyrazol-4-yl)-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]ethanol?
1-(1-methylpyrazol-4-yl)-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]ethanol has a molecular weight of 346.39 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-4-yl)-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]ethanol is sourced from PubChem (CID 133323500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).