2-[2-(2-chlorophenoxy)ethoxy]quinazoline

C16H13ClN2O2 — CID 23196609

IUPAC2-[2-(2-chlorophenoxy)ethoxy]quinazoline
SMILESClc1ccccc1OCCOc1ncc2ccccc2n1
InChIInChI=1S/C16H13ClN2O2/c17-13-6-2-4-8-15(13)20-9-10-21-16-18-11-12-5-1-3-7-14(12)19-16/h1-8,11H,9-10H2
InChIKeyAVMBWZCHKVRRNB-UHFFFAOYSA-N
MW300.75 g/mol
LogP3.74
Rot. Bonds5

About 2-[2-(2-chlorophenoxy)ethoxy]quinazoline

2-[2-(2-chlorophenoxy)ethoxy]quinazoline (PubChem CID 23196609) has the molecular formula C16H13ClN2O2 and a molecular weight of 300.75 g/mol. Its IUPAC name is 2-[2-(2-chlorophenoxy)ethoxy]quinazoline.

Molecular Properties

Compound Name2-[2-(2-chlorophenoxy)ethoxy]quinazoline
PubChem CID23196609
Molecular FormulaC16H13ClN2O2
Molecular Weight300.75 g/mol
Exact Mass300.07
IUPAC Name2-[2-(2-chlorophenoxy)ethoxy]quinazoline
SMILESClc1ccccc1OCCOc1ncc2ccccc2n1
InChIInChI=1S/C16H13ClN2O2/c17-13-6-2-4-8-15(13)20-9-10-21-16-18-11-12-5-1-3-7-14(12)19-16/h1-8,11H,9-10H2
InChIKeyAVMBWZCHKVRRNB-UHFFFAOYSA-N
XLogP3.74
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(5-bromo-2-chlorophenoxy)quinazoline
CID 114788780
2-methoxyquinazoline
CID 594801
2-(2,2,2-trifluoroethoxy)quinazoline;hydrochloride
CID 141036711
CID 88543668
CID 88543668
bis[2-(2-chlorophenoxy)ethyl] oxalate
CID 68775442
1-(quinazolin-2-yloxymethyl)cyclopentan-1-amine
CID 114789733
1-chloro-2-(4-methoxybutoxy)benzene
CID 59339544
2-[2-(2-chlorophenoxy)ethoxy]-1,3-dimethoxybenzene
CID 2283961
4,6-dichloro-2-[(2-chlorophenoxy)methyl]pyrimidine
CID 82169647
4-[5-(2-chlorophenoxy)pentyl]quinazolin-2-amine
CID 154004984
[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]-phenylmethanol
CID 4898002
N-[2-(2-chlorophenoxy)ethyl]aniline
CID 19079516

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenoxy)ethoxy]quinazoline?
The IUPAC name of 2-[2-(2-chlorophenoxy)ethoxy]quinazoline (CID 23196609) is 2-[2-(2-chlorophenoxy)ethoxy]quinazoline.
What is the SMILES notation for 2-[2-(2-chlorophenoxy)ethoxy]quinazoline?
The canonical SMILES for 2-[2-(2-chlorophenoxy)ethoxy]quinazoline is Clc1ccccc1OCCOc1ncc2ccccc2n1.
What is the InChIKey of 2-[2-(2-chlorophenoxy)ethoxy]quinazoline?
The InChIKey is AVMBWZCHKVRRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2/c17-13-6-2-4-8-15(13)20-9-10-21-16-18-11-12-5-1-3-7-14(12)19-16/h1-8,11H,9-10H2.
What are the key properties of 2-[2-(2-chlorophenoxy)ethoxy]quinazoline?
2-[2-(2-chlorophenoxy)ethoxy]quinazoline has a molecular weight of 300.75 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenoxy)ethoxy]quinazoline is sourced from PubChem (CID 23196609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).