2-(2-methoxyethoxy)-N-(4-pyridin-4-yloxyphenyl)quinazolin-4-amine

C22H20N4O3 — CID 175385313

IUPAC2-(2-methoxyethoxy)-N-(4-pyridin-4-yloxyphenyl)quinazolin-4-amine
SMILESCOCCOc1nc(Nc2ccc(Oc3ccncc3)cc2)c2ccccc2n1
InChIInChI=1S/C22H20N4O3/c1-27-14-15-28-22-25-20-5-3-2-4-19(20)21(26-22)24-16-6-8-17(9-7-16)29-18-10-12-23-13-11-18/h2-13H,14-15H2,1H3,(H,24,25,26)
InChIKeyQRADEUFHGHLKLX-UHFFFAOYSA-N
MW388.43 g/mol
LogP4.59
Rot. Bonds8

About 2-(2-methoxyethoxy)-N-(4-pyridin-4-yloxyphenyl)quinazolin-4-amine

2-(2-methoxyethoxy)-N-(4-pyridin-4-yloxyphenyl)quinazolin-4-amine (PubChem CID 175385313) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-N-(4-pyridin-4-yloxyphenyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-N-(4-pyridin-4-yloxyphenyl)quinazolin-4-amine
PubChem CID175385313
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC Name2-(2-methoxyethoxy)-N-(4-pyridin-4-yloxyphenyl)quinazolin-4-amine
SMILESCOCCOc1nc(Nc2ccc(Oc3ccncc3)cc2)c2ccccc2n1
InChIInChI=1S/C22H20N4O3/c1-27-14-15-28-22-25-20-5-3-2-4-19(20)21(26-22)24-16-6-8-17(9-7-16)29-18-10-12-23-13-11-18/h2-13H,14-15H2,1H3,(H,24,25,26)
InChIKeyQRADEUFHGHLKLX-UHFFFAOYSA-N
XLogP4.59
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyethoxy)-N-(4-pyridin-3-yloxyphenyl)quinazolin-4-amine
CID 175385366
2-N-[4-(2-methoxyethoxy)phenyl]-4-N-(4-methoxyphenyl)quinazoline-2,4-diamine;hydrochloride
CID 67725035
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine
CID 68518853
N-(4-phenoxyphenyl)-2-phenylquinazolin-4-amine
CID 11567274
4-(2-methoxyethoxy)-N-phenylaniline
CID 54357885
N-(4-methoxyphenyl)-2-propylquinazolin-4-amine
CID 10756141
N-(4-ethoxyphenyl)-2-phenylquinazolin-4-amine
CID 2459759
4-[[4-(4-methoxyanilino)quinazolin-2-yl]amino]phenol
CID 54556640
2-(3-methylphenyl)-N-(4-phenoxyphenyl)quinazolin-4-amine
CID 22310718
N-[4-[4-(1,3-thiazol-4-ylamino)quinazolin-2-yl]oxyphenyl]acetamide
CID 10193946
ethyl 4-(4-methoxycarbonylanilino)quinazoline-2-carboxylate
CID 1192536
4-N-[(4-methoxyphenyl)methyl]-2-N-pyridin-4-ylquinazoline-2,4-diamine
CID 71690909

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)-N-(4-pyridin-4-yloxyphenyl)quinazolin-4-amine?
The IUPAC name of 2-(2-methoxyethoxy)-N-(4-pyridin-4-yloxyphenyl)quinazolin-4-amine (CID 175385313) is 2-(2-methoxyethoxy)-N-(4-pyridin-4-yloxyphenyl)quinazolin-4-amine.
What is the SMILES notation for 2-(2-methoxyethoxy)-N-(4-pyridin-4-yloxyphenyl)quinazolin-4-amine?
The canonical SMILES for 2-(2-methoxyethoxy)-N-(4-pyridin-4-yloxyphenyl)quinazolin-4-amine is COCCOc1nc(Nc2ccc(Oc3ccncc3)cc2)c2ccccc2n1.
What is the InChIKey of 2-(2-methoxyethoxy)-N-(4-pyridin-4-yloxyphenyl)quinazolin-4-amine?
The InChIKey is QRADEUFHGHLKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c1-27-14-15-28-22-25-20-5-3-2-4-19(20)21(26-22)24-16-6-8-17(9-7-16)29-18-10-12-23-13-11-18/h2-13H,14-15H2,1H3,(H,24,25,26).
What are the key properties of 2-(2-methoxyethoxy)-N-(4-pyridin-4-yloxyphenyl)quinazolin-4-amine?
2-(2-methoxyethoxy)-N-(4-pyridin-4-yloxyphenyl)quinazolin-4-amine has a molecular weight of 388.43 g/mol, XLogP of 4.59, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)-N-(4-pyridin-4-yloxyphenyl)quinazolin-4-amine is sourced from PubChem (CID 175385313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).