4-chloro-7-[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]oxyquinazoline

C17H16ClN5O2 — CID 175670707

IUPAC4-chloro-7-[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]oxyquinazoline
SMILESCOc1cc(N2CCC(Oc3ccc4c(Cl)ncnc4c3)C2)ncn1
InChIInChI=1S/C17H16ClN5O2/c1-24-16-7-15(20-10-21-16)23-5-4-12(8-23)25-11-2-3-13-14(6-11)19-9-22-17(13)18/h2-3,6-7,9-10,12H,4-5,8H2,1H3
InChIKeyMVNWDKHTPXPAGQ-UHFFFAOYSA-N
MW357.80 g/mol
LogP2.74
Rot. Bonds4

About 4-chloro-7-[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]oxyquinazoline

4-chloro-7-[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]oxyquinazoline (PubChem CID 175670707) has the molecular formula C17H16ClN5O2 and a molecular weight of 357.80 g/mol. Its IUPAC name is 4-chloro-7-[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]oxyquinazoline.

Molecular Properties

Compound Name4-chloro-7-[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]oxyquinazoline
PubChem CID175670707
Molecular FormulaC17H16ClN5O2
Molecular Weight357.80 g/mol
Exact Mass357.10
IUPAC Name4-chloro-7-[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]oxyquinazoline
SMILESCOc1cc(N2CCC(Oc3ccc4c(Cl)ncnc4c3)C2)ncn1
InChIInChI=1S/C17H16ClN5O2/c1-24-16-7-15(20-10-21-16)23-5-4-12(8-23)25-11-2-3-13-14(6-11)19-9-22-17(13)18/h2-3,6-7,9-10,12H,4-5,8H2,1H3
InChIKeyMVNWDKHTPXPAGQ-UHFFFAOYSA-N
XLogP2.74
TPSA73.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]oxyquinazoline?
The IUPAC name of 4-chloro-7-[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]oxyquinazoline (CID 175670707) is 4-chloro-7-[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]oxyquinazoline.
What is the SMILES notation for 4-chloro-7-[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]oxyquinazoline?
The canonical SMILES for 4-chloro-7-[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]oxyquinazoline is COc1cc(N2CCC(Oc3ccc4c(Cl)ncnc4c3)C2)ncn1.
What is the InChIKey of 4-chloro-7-[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]oxyquinazoline?
The InChIKey is MVNWDKHTPXPAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O2/c1-24-16-7-15(20-10-21-16)23-5-4-12(8-23)25-11-2-3-13-14(6-11)19-9-22-17(13)18/h2-3,6-7,9-10,12H,4-5,8H2,1H3.
What are the key properties of 4-chloro-7-[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]oxyquinazoline?
4-chloro-7-[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]oxyquinazoline has a molecular weight of 357.80 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]oxyquinazoline is sourced from PubChem (CID 175670707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).