2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine

C23H29N3O5 — CID 68518853

IUPAC2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine
SMILESCOCCOCCOCCOc1nc(NCc2ccc(OC)cc2)c2ccccc2n1
InChIInChI=1S/C23H29N3O5/c1-27-11-12-29-13-14-30-15-16-31-23-25-21-6-4-3-5-20(21)22(26-23)24-17-18-7-9-19(28-2)10-8-18/h3-10H,11-17H2,1-2H3,(H,24,25,26)
InChIKeyMGXIZMXACMVGDX-UHFFFAOYSA-N
MW427.50 g/mol
LogP3.31
Rot. Bonds14

About 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine

2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine (PubChem CID 68518853) has the molecular formula C23H29N3O5 and a molecular weight of 427.50 g/mol. Its IUPAC name is 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine
PubChem CID68518853
Molecular FormulaC23H29N3O5
Molecular Weight427.50 g/mol
Exact Mass427.21
IUPAC Name2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine
SMILESCOCCOCCOCCOc1nc(NCc2ccc(OC)cc2)c2ccccc2n1
InChIInChI=1S/C23H29N3O5/c1-27-11-12-29-13-14-30-15-16-31-23-25-21-6-4-3-5-20(21)22(26-23)24-17-18-7-9-19(28-2)10-8-18/h3-10H,11-17H2,1-2H3,(H,24,25,26)
InChIKeyMGXIZMXACMVGDX-UHFFFAOYSA-N
XLogP3.31
TPSA83.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-benzyl-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine
CID 69221588
N-[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]hydroxylamine
CID 71417770
2-N-(4-methoxyphenyl)-4-N-[(4-methoxyphenyl)methyl]quinazoline-2,4-diamine
CID 71690865
N-benzyl-2-(4-methoxyphenyl)quinazolin-4-amine
CID 949742
N-[(4-methoxyphenyl)methyl]-2-(2H-tetrazol-5-yl)quinazolin-4-amine
CID 68518029
2-(2-methoxyethoxy)-N-(4-pyridin-4-yloxyphenyl)quinazolin-4-amine
CID 175385313
2-[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]sulfanylacetonitrile
CID 6616450
4-N-[(4-methoxyphenyl)methyl]-2-N-pyridin-4-ylquinazoline-2,4-diamine
CID 71690909
N-[2-[acetyl-[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]amino]ethyl]acetamide
CID 68516361
N-[(4-methoxyphenyl)methyl]-2-[[2-(2-phenoxyethoxy)acetyl]amino]acetamide
CID 48502857
2-(2-methoxyethoxy)-N-(4-pyridin-3-yloxyphenyl)quinazolin-4-amine
CID 175385366
benzyl N-[[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]methyl]carbamate
CID 68517635

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine?
The IUPAC name of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine (CID 68518853) is 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine.
What is the SMILES notation for 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine?
The canonical SMILES for 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine is COCCOCCOCCOc1nc(NCc2ccc(OC)cc2)c2ccccc2n1.
What is the InChIKey of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine?
The InChIKey is MGXIZMXACMVGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O5/c1-27-11-12-29-13-14-30-15-16-31-23-25-21-6-4-3-5-20(21)22(26-23)24-17-18-7-9-19(28-2)10-8-18/h3-10H,11-17H2,1-2H3,(H,24,25,26).
What are the key properties of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine?
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine has a molecular weight of 427.50 g/mol, XLogP of 3.31, 14 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine is sourced from PubChem (CID 68518853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).