5-[[6-methoxy-7-(1-pyridin-4-ylpropoxy)quinazolin-4-yl]amino]-2-methylphenol

C24H24N4O3 — CID 22624876

IUPAC5-[[6-methoxy-7-(1-pyridin-4-ylpropoxy)quinazolin-4-yl]amino]-2-methylphenol
SMILESCCC(Oc1cc2ncnc(Nc3ccc(C)c(O)c3)c2cc1OC)c1ccncc1
InChIInChI=1S/C24H24N4O3/c1-4-21(16-7-9-25-10-8-16)31-23-13-19-18(12-22(23)30-3)24(27-14-26-19)28-17-6-5-15(2)20(29)11-17/h5-14,21,29H,4H2,1-3H3,(H,26,27,28)
InChIKeyVWBILXIXAKTFDX-UHFFFAOYSA-N
MW416.48 g/mol
LogP5.32
Rot. Bonds7

About 5-[[6-methoxy-7-(1-pyridin-4-ylpropoxy)quinazolin-4-yl]amino]-2-methylphenol

5-[[6-methoxy-7-(1-pyridin-4-ylpropoxy)quinazolin-4-yl]amino]-2-methylphenol (PubChem CID 22624876) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is 5-[[6-methoxy-7-(1-pyridin-4-ylpropoxy)quinazolin-4-yl]amino]-2-methylphenol.

Molecular Properties

Compound Name5-[[6-methoxy-7-(1-pyridin-4-ylpropoxy)quinazolin-4-yl]amino]-2-methylphenol
PubChem CID22624876
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC Name5-[[6-methoxy-7-(1-pyridin-4-ylpropoxy)quinazolin-4-yl]amino]-2-methylphenol
SMILESCCC(Oc1cc2ncnc(Nc3ccc(C)c(O)c3)c2cc1OC)c1ccncc1
InChIInChI=1S/C24H24N4O3/c1-4-21(16-7-9-25-10-8-16)31-23-13-19-18(12-22(23)30-3)24(27-14-26-19)28-17-6-5-15(2)20(29)11-17/h5-14,21,29H,4H2,1-3H3,(H,26,27,28)
InChIKeyVWBILXIXAKTFDX-UHFFFAOYSA-N
XLogP5.32
TPSA89.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.48
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[[6-methoxy-7-(1-pyridin-4-ylpropoxy)quinazolin-4-yl]amino]-2-methylphenol with MolForge

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Related Compounds

[5-[[6-methoxy-7-(pyridin-4-ylmethoxy)quinazolin-4-yl]amino]-2-methylphenyl] acetate
CID 11037387
4-(4-fluoro-3-methylanilino)-6-methoxyquinazolin-7-ol
CID 137185960
2-methyl-5-[(7-pyridin-4-ylsulfanylquinazolin-4-yl)amino]phenol;hydrochloride
CID 67669427
N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenyl]acetamide
CID 90667704
ethyl N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]carbamate
CID 54587267
N-(4-fluoro-3-methylphenyl)-7-methoxy-6-(2-methylpropoxy)quinazolin-4-amine
CID 165053338
6,7-dimethoxy-N-[4-[(R)-phenyl(propylamino)methyl]phenyl]quinazolin-4-amine
CID 122628612
6-(3-aminopropoxy)-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine
CID 156814297
N'-[[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-phenylmethyl]-N-propylmethanediamine
CID 145172257
propan-2-yl N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenyl]carbamate
CID 56954133
N-[6-[[2-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]acetyl]amino]hexyl]propanamide
CID 59770632
4-[(6,7-dimethoxyquinazolin-4-yl)amino]naphthalen-1-ol
CID 23382229

Frequently Asked Questions

What is the IUPAC name of 5-[[6-methoxy-7-(1-pyridin-4-ylpropoxy)quinazolin-4-yl]amino]-2-methylphenol?
The IUPAC name of 5-[[6-methoxy-7-(1-pyridin-4-ylpropoxy)quinazolin-4-yl]amino]-2-methylphenol (CID 22624876) is 5-[[6-methoxy-7-(1-pyridin-4-ylpropoxy)quinazolin-4-yl]amino]-2-methylphenol.
What is the SMILES notation for 5-[[6-methoxy-7-(1-pyridin-4-ylpropoxy)quinazolin-4-yl]amino]-2-methylphenol?
The canonical SMILES for 5-[[6-methoxy-7-(1-pyridin-4-ylpropoxy)quinazolin-4-yl]amino]-2-methylphenol is CCC(Oc1cc2ncnc(Nc3ccc(C)c(O)c3)c2cc1OC)c1ccncc1.
What is the InChIKey of 5-[[6-methoxy-7-(1-pyridin-4-ylpropoxy)quinazolin-4-yl]amino]-2-methylphenol?
The InChIKey is VWBILXIXAKTFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-4-21(16-7-9-25-10-8-16)31-23-13-19-18(12-22(23)30-3)24(27-14-26-19)28-17-6-5-15(2)20(29)11-17/h5-14,21,29H,4H2,1-3H3,(H,26,27,28).
What are the key properties of 5-[[6-methoxy-7-(1-pyridin-4-ylpropoxy)quinazolin-4-yl]amino]-2-methylphenol?
5-[[6-methoxy-7-(1-pyridin-4-ylpropoxy)quinazolin-4-yl]amino]-2-methylphenol has a molecular weight of 416.48 g/mol, XLogP of 5.32, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-methoxy-7-(1-pyridin-4-ylpropoxy)quinazolin-4-yl]amino]-2-methylphenol is sourced from PubChem (CID 22624876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).