1-[5-[4-[methyl(2-phenoxyethyl)amino]quinazolin-2-yl]-2-pyridinyl]propan-2-one

C25H24N4O2 — CID 159694548

IUPAC1-[5-[4-[methyl(2-phenoxyethyl)amino]quinazolin-2-yl]-2-pyridinyl]propan-2-one
SMILESCC(=O)Cc1ccc(-c2nc(N(C)CCOc3ccccc3)c3ccccc3n2)cn1
InChIInChI=1S/C25H24N4O2/c1-18(30)16-20-13-12-19(17-26-20)24-27-23-11-7-6-10-22(23)25(28-24)29(2)14-15-31-21-8-4-3-5-9-21/h3-13,17H,14-16H2,1-2H3
InChIKeyMWVMYBOKZPJNHT-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.34
Rot. Bonds8

About 1-[5-[4-[methyl(2-phenoxyethyl)amino]quinazolin-2-yl]-2-pyridinyl]propan-2-one

1-[5-[4-[methyl(2-phenoxyethyl)amino]quinazolin-2-yl]-2-pyridinyl]propan-2-one (PubChem CID 159694548) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is 1-[5-[4-[methyl(2-phenoxyethyl)amino]quinazolin-2-yl]-2-pyridinyl]propan-2-one.

Molecular Properties

Compound Name1-[5-[4-[methyl(2-phenoxyethyl)amino]quinazolin-2-yl]-2-pyridinyl]propan-2-one
PubChem CID159694548
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC Name1-[5-[4-[methyl(2-phenoxyethyl)amino]quinazolin-2-yl]-2-pyridinyl]propan-2-one
SMILESCC(=O)Cc1ccc(-c2nc(N(C)CCOc3ccccc3)c3ccccc3n2)cn1
InChIInChI=1S/C25H24N4O2/c1-18(30)16-20-13-12-19(17-26-20)24-27-23-11-7-6-10-22(23)25(28-24)29(2)14-15-31-21-8-4-3-5-9-21/h3-13,17H,14-16H2,1-2H3
InChIKeyMWVMYBOKZPJNHT-UHFFFAOYSA-N
XLogP4.34
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methoxyphenyl)-2-pyridin-4-ylquinazolin-4-amine
CID 877998
Vuf5574
CID 4046493
4-[4-(4-Methoxyphenyl)piperazin-1-Yl]-2-(Pyridin-2-Yl)quinazoline
CID 58279815
4-(4-Methoxyphenoxy)-2-(pyridin-3-yl)quinazoline
CID 719310
4-Phenoxy-2-pyridin-3-ylquinazoline
CID 872375
2-[4-(2-Methyl-5-pyridin-4-yl-pyrimidin-4-yl)-phenoxymethyl]-quinoline
CID 11495114
5-(((2-Methylpyridin-3-yl)oxy)methyl)quinazoline-2,4-diamine
CID 137636390
4-(4-Methoxyphenoxy)-2-pyridin-2-ylquinazoline
CID 929911
4-(2-Methylphenoxy)-2-pyridin-2-ylquinazoline
CID 929925
4-(3-Methylphenoxy)-2-pyridin-2-ylquinazoline
CID 930112
4-(2-Fluorophenoxy)-2-(pyridin-4-yl)quinazoline
CID 930135
4-(3-Methoxyphenoxy)-2-(pyridin-4-yl)quinazoline
CID 930151

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-[methyl(2-phenoxyethyl)amino]quinazolin-2-yl]-2-pyridinyl]propan-2-one?
The IUPAC name of 1-[5-[4-[methyl(2-phenoxyethyl)amino]quinazolin-2-yl]-2-pyridinyl]propan-2-one (CID 159694548) is 1-[5-[4-[methyl(2-phenoxyethyl)amino]quinazolin-2-yl]-2-pyridinyl]propan-2-one.
What is the SMILES notation for 1-[5-[4-[methyl(2-phenoxyethyl)amino]quinazolin-2-yl]-2-pyridinyl]propan-2-one?
The canonical SMILES for 1-[5-[4-[methyl(2-phenoxyethyl)amino]quinazolin-2-yl]-2-pyridinyl]propan-2-one is CC(=O)Cc1ccc(-c2nc(N(C)CCOc3ccccc3)c3ccccc3n2)cn1.
What is the InChIKey of 1-[5-[4-[methyl(2-phenoxyethyl)amino]quinazolin-2-yl]-2-pyridinyl]propan-2-one?
The InChIKey is MWVMYBOKZPJNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2/c1-18(30)16-20-13-12-19(17-26-20)24-27-23-11-7-6-10-22(23)25(28-24)29(2)14-15-31-21-8-4-3-5-9-21/h3-13,17H,14-16H2,1-2H3.
What are the key properties of 1-[5-[4-[methyl(2-phenoxyethyl)amino]quinazolin-2-yl]-2-pyridinyl]propan-2-one?
1-[5-[4-[methyl(2-phenoxyethyl)amino]quinazolin-2-yl]-2-pyridinyl]propan-2-one has a molecular weight of 412.49 g/mol, XLogP of 4.34, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-[methyl(2-phenoxyethyl)amino]quinazolin-2-yl]-2-pyridinyl]propan-2-one is sourced from PubChem (CID 159694548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).