4-chloro-7-methoxy-5-propoxyquinazoline

C12H13ClN2O2 — CID 58710714

IUPAC4-chloro-7-methoxy-5-propoxyquinazoline
SMILESCCCOc1cc(OC)cc2ncnc(Cl)c12
InChIInChI=1S/C12H13ClN2O2/c1-3-4-17-10-6-8(16-2)5-9-11(10)12(13)15-7-14-9/h5-7H,3-4H2,1-2H3
InChIKeyPBMDQWILQDHVOM-UHFFFAOYSA-N
MW252.70 g/mol
LogP3.08
Rot. Bonds4

About 4-chloro-7-methoxy-5-propoxyquinazoline

4-chloro-7-methoxy-5-propoxyquinazoline (PubChem CID 58710714) has the molecular formula C12H13ClN2O2 and a molecular weight of 252.70 g/mol. Its IUPAC name is 4-chloro-7-methoxy-5-propoxyquinazoline.

Molecular Properties

Compound Name4-chloro-7-methoxy-5-propoxyquinazoline
PubChem CID58710714
Molecular FormulaC12H13ClN2O2
Molecular Weight252.70 g/mol
Exact Mass252.07
IUPAC Name4-chloro-7-methoxy-5-propoxyquinazoline
SMILESCCCOc1cc(OC)cc2ncnc(Cl)c12
InChIInChI=1S/C12H13ClN2O2/c1-3-4-17-10-6-8(16-2)5-9-11(10)12(13)15-7-14-9/h5-7H,3-4H2,1-2H3
InChIKeyPBMDQWILQDHVOM-UHFFFAOYSA-N
XLogP3.08
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-Methoxyquinazoline
CID 12213273
N-(2-chloro-5-methoxyphenyl)-7-methoxy-5-[(1-methylpiperidin-4-yl)oxy]quinazolin-4-amine
CID 10113430
N-(2-chloro-5-methoxyphenyl)-7-[3-(4-methylpiperazin-1-yl)propoxy]-5-(oxan-4-yloxy)quinazolin-4-amine
CID 10165834
N-(2-chloro-5-methoxyphenyl)-7-[3-(morpholin-4-yl)propoxy]-5-(oxan-4-yloxy)quinazolin-4-amine
CID 10279981
N-(2-chloro-5-methoxyphenyl)-7-[3-(morpholin-4-yl)propoxy]-5-(propan-2-yloxy)quinazolin-4-amine
CID 10288960
N-(2-chloro-5-methoxyphenyl)-7-methoxy-5-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 11973907
4-Chloro-6,7-bis(2-methoxyethoxy)quinazoline
CID 11289942
N-(2-chloro-5-methoxyphenyl)-5-(cyclohexyloxy)-7-[3-(morpholin-4-yl)propoxy]quinazolin-4-amine
CID 11974016
N-(2-chloro-5-methoxyphenyl)-5,7-dimethoxyquinazolin-4-amine
CID 11974219
4-(3-Chloro-phenoxy)-6,7-dimethoxy-quinazoline
CID 9948853
4-Chloro-6,7,8-triethoxyquinazoline
CID 330473
4-(3-Chloro-4-fluoroanilino)-7-methoxy-5-(1-methylpiperidin-4-yloxy)quinazoline
CID 10180188

Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-methoxy-5-propoxyquinazoline?
The IUPAC name of 4-chloro-7-methoxy-5-propoxyquinazoline (CID 58710714) is 4-chloro-7-methoxy-5-propoxyquinazoline.
What is the SMILES notation for 4-chloro-7-methoxy-5-propoxyquinazoline?
The canonical SMILES for 4-chloro-7-methoxy-5-propoxyquinazoline is CCCOc1cc(OC)cc2ncnc(Cl)c12.
What is the InChIKey of 4-chloro-7-methoxy-5-propoxyquinazoline?
The InChIKey is PBMDQWILQDHVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2/c1-3-4-17-10-6-8(16-2)5-9-11(10)12(13)15-7-14-9/h5-7H,3-4H2,1-2H3.
What are the key properties of 4-chloro-7-methoxy-5-propoxyquinazoline?
4-chloro-7-methoxy-5-propoxyquinazoline has a molecular weight of 252.70 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-methoxy-5-propoxyquinazoline is sourced from PubChem (CID 58710714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).