4-chloro-7-(3-cyclohexylpropoxy)-6-methoxyquinazoline

C18H23ClN2O2 — CID 10980561

IUPAC4-chloro-7-(3-cyclohexylpropoxy)-6-methoxyquinazoline
SMILESCOc1cc2c(Cl)ncnc2cc1OCCCC1CCCCC1
InChIInChI=1S/C18H23ClN2O2/c1-22-16-10-14-15(20-12-21-18(14)19)11-17(16)23-9-5-8-13-6-3-2-4-7-13/h10-13H,2-9H2,1H3
InChIKeyFTIRRRJBEVHEJF-UHFFFAOYSA-N
MW334.85 g/mol
LogP5.03
Rot. Bonds6

About 4-chloro-7-(3-cyclohexylpropoxy)-6-methoxyquinazoline

4-chloro-7-(3-cyclohexylpropoxy)-6-methoxyquinazoline (PubChem CID 10980561) has the molecular formula C18H23ClN2O2 and a molecular weight of 334.85 g/mol. Its IUPAC name is 4-chloro-7-(3-cyclohexylpropoxy)-6-methoxyquinazoline.

Molecular Properties

Compound Name4-chloro-7-(3-cyclohexylpropoxy)-6-methoxyquinazoline
PubChem CID10980561
Molecular FormulaC18H23ClN2O2
Molecular Weight334.85 g/mol
Exact Mass334.14
IUPAC Name4-chloro-7-(3-cyclohexylpropoxy)-6-methoxyquinazoline
SMILESCOc1cc2c(Cl)ncnc2cc1OCCCC1CCCCC1
InChIInChI=1S/C18H23ClN2O2/c1-22-16-10-14-15(20-12-21-18(14)19)11-17(16)23-9-5-8-13-6-3-2-4-7-13/h10-13H,2-9H2,1H3
InChIKeyFTIRRRJBEVHEJF-UHFFFAOYSA-N
XLogP5.03
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.85
LogP ≤ 55.03
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

4-chloro-7-(3-chloropropoxy)-6-methoxyquinazoline
CID 57447227
7-(2-bromoethoxy)-4-chloro-6-methoxyquinazoline
CID 86761073
4-chloro-6-methoxy-7-[(4-methylpiperidin-1-yl)methoxy]quinazoline
CID 91903082
4-chloro-7-methoxy-6-prop-2-ynoxyquinazoline
CID 87139152
4-chloro-7-(3-pyrrolidin-1-ylpropoxy)-6-(trideuteriomethoxy)quinazoline
CID 87631738
1-[4-[3-(4-chloro-7-methoxyquinazolin-6-yl)oxypropyl]piperazin-1-yl]ethanone
CID 58960248
4-chloro-6-methoxy-7-phenylmethoxyquinazoline
CID 10661998
4-chloro-7-methoxy-6-propoxyquinazoline;morpholine;hydrochloride
CID 174738366
4-cyclohexyl-6,7-dimethoxyquinazoline
CID 67650996
4-chloro-6-methoxy-7-(1-piperidin-1-ylethoxy)quinazoline
CID 91363956
4-chloro-7-[2-[4-(1-fluoroethyl)piperazin-1-yl]ethoxy]-6-methoxyquinazoline
CID 91578085
3-(4-chloro-7-methoxyquinazolin-6-yl)oxy-1-morpholin-4-ylpropan-1-ol
CID 175087895

Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-(3-cyclohexylpropoxy)-6-methoxyquinazoline?
The IUPAC name of 4-chloro-7-(3-cyclohexylpropoxy)-6-methoxyquinazoline (CID 10980561) is 4-chloro-7-(3-cyclohexylpropoxy)-6-methoxyquinazoline.
What is the SMILES notation for 4-chloro-7-(3-cyclohexylpropoxy)-6-methoxyquinazoline?
The canonical SMILES for 4-chloro-7-(3-cyclohexylpropoxy)-6-methoxyquinazoline is COc1cc2c(Cl)ncnc2cc1OCCCC1CCCCC1.
What is the InChIKey of 4-chloro-7-(3-cyclohexylpropoxy)-6-methoxyquinazoline?
The InChIKey is FTIRRRJBEVHEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O2/c1-22-16-10-14-15(20-12-21-18(14)19)11-17(16)23-9-5-8-13-6-3-2-4-7-13/h10-13H,2-9H2,1H3.
What are the key properties of 4-chloro-7-(3-cyclohexylpropoxy)-6-methoxyquinazoline?
4-chloro-7-(3-cyclohexylpropoxy)-6-methoxyquinazoline has a molecular weight of 334.85 g/mol, XLogP of 5.03, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-(3-cyclohexylpropoxy)-6-methoxyquinazoline is sourced from PubChem (CID 10980561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).