4-chloro-2-[2-(2-methoxyethoxy)ethyl]-5,6,7,8-tetrahydroquinazoline

C13H19ClN2O2 — CID 102927204

IUPAC4-chloro-2-[2-(2-methoxyethoxy)ethyl]-5,6,7,8-tetrahydroquinazoline
SMILESCOCCOCCc1nc(Cl)c2c(n1)CCCC2
InChIInChI=1S/C13H19ClN2O2/c1-17-8-9-18-7-6-12-15-11-5-3-2-4-10(11)13(14)16-12/h2-9H2,1H3
InChIKeyGODIJFAQZWPXNQ-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.21
Rot. Bonds6

About 4-chloro-2-[2-(2-methoxyethoxy)ethyl]-5,6,7,8-tetrahydroquinazoline

4-chloro-2-[2-(2-methoxyethoxy)ethyl]-5,6,7,8-tetrahydroquinazoline (PubChem CID 102927204) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 4-chloro-2-[2-(2-methoxyethoxy)ethyl]-5,6,7,8-tetrahydroquinazoline.

Molecular Properties

Compound Name4-chloro-2-[2-(2-methoxyethoxy)ethyl]-5,6,7,8-tetrahydroquinazoline
PubChem CID102927204
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name4-chloro-2-[2-(2-methoxyethoxy)ethyl]-5,6,7,8-tetrahydroquinazoline
SMILESCOCCOCCc1nc(Cl)c2c(n1)CCCC2
InChIInChI=1S/C13H19ClN2O2/c1-17-8-9-18-7-6-12-15-11-5-3-2-4-10(11)13(14)16-12/h2-9H2,1H3
InChIKeyGODIJFAQZWPXNQ-UHFFFAOYSA-N
XLogP2.21
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-chloro-2-[2-(2-methoxyethoxy)ethyl]-5,6,7,8-tetrahydroquinazoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-2-(2-methoxyethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 63350986
4-chloro-2-(3-methoxypropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 65095175
2-[2-(2-methoxyethoxy)ethyl]-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 102928850
2-[2-(2-methoxyethoxy)ethyl]-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 102928852
4-chloro-2-[2-(2-methoxyethoxy)ethyl]-5,6-dimethylpyrimidine
CID 102927201
2-(4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-N,N-dimethylethanamine
CID 115345603
4-chloro-2-[(4-methoxyphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 61382080
1-(4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-N,N-dimethylmethanamine
CID 79078275
2-(2-methoxyethyl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 62191471
2-(2-ethoxyethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 106815258
4-chloro-2-(2,2-dimethylpropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 63891705
5-bromo-4-chloro-2-[2-(2-methoxyethoxy)ethyl]pyrimidine
CID 102927230

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[2-(2-methoxyethoxy)ethyl]-5,6,7,8-tetrahydroquinazoline?
The IUPAC name of 4-chloro-2-[2-(2-methoxyethoxy)ethyl]-5,6,7,8-tetrahydroquinazoline (CID 102927204) is 4-chloro-2-[2-(2-methoxyethoxy)ethyl]-5,6,7,8-tetrahydroquinazoline.
What is the SMILES notation for 4-chloro-2-[2-(2-methoxyethoxy)ethyl]-5,6,7,8-tetrahydroquinazoline?
The canonical SMILES for 4-chloro-2-[2-(2-methoxyethoxy)ethyl]-5,6,7,8-tetrahydroquinazoline is COCCOCCc1nc(Cl)c2c(n1)CCCC2.
What is the InChIKey of 4-chloro-2-[2-(2-methoxyethoxy)ethyl]-5,6,7,8-tetrahydroquinazoline?
The InChIKey is GODIJFAQZWPXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-17-8-9-18-7-6-12-15-11-5-3-2-4-10(11)13(14)16-12/h2-9H2,1H3.
What are the key properties of 4-chloro-2-[2-(2-methoxyethoxy)ethyl]-5,6,7,8-tetrahydroquinazoline?
4-chloro-2-[2-(2-methoxyethoxy)ethyl]-5,6,7,8-tetrahydroquinazoline has a molecular weight of 270.76 g/mol, XLogP of 2.21, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[2-(2-methoxyethoxy)ethyl]-5,6,7,8-tetrahydroquinazoline is sourced from PubChem (CID 102927204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).