4-chloro-5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-6-propan-2-yloxyquinazoline

C17H20ClF2N3O2 — CID 146510078

IUPAC4-chloro-5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-6-propan-2-yloxyquinazoline
SMILESCC(C)Oc1ccc2ncnc(Cl)c2c1OC1CCN(C)CC1(F)F
InChIInChI=1S/C17H20ClF2N3O2/c1-10(2)24-12-5-4-11-14(16(18)22-9-21-11)15(12)25-13-6-7-23(3)8-17(13,19)20/h4-5,9-10,13H,6-8H2,1-3H3
InChIKeyNDBMXMPCYGKFEB-UHFFFAOYSA-N
MW371.82 g/mol
LogP3.79
Rot. Bonds4

About 4-chloro-5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-6-propan-2-yloxyquinazoline

4-chloro-5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-6-propan-2-yloxyquinazoline (PubChem CID 146510078) has the molecular formula C17H20ClF2N3O2 and a molecular weight of 371.82 g/mol. Its IUPAC name is 4-chloro-5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-6-propan-2-yloxyquinazoline.

Molecular Properties

Compound Name4-chloro-5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-6-propan-2-yloxyquinazoline
PubChem CID146510078
Molecular FormulaC17H20ClF2N3O2
Molecular Weight371.82 g/mol
Exact Mass371.12
IUPAC Name4-chloro-5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-6-propan-2-yloxyquinazoline
SMILESCC(C)Oc1ccc2ncnc(Cl)c2c1OC1CCN(C)CC1(F)F
InChIInChI=1S/C17H20ClF2N3O2/c1-10(2)24-12-5-4-11-14(16(18)22-9-21-11)15(12)25-13-6-7-23(3)8-17(13,19)20/h4-5,9-10,13H,6-8H2,1-3H3
InChIKeyNDBMXMPCYGKFEB-UHFFFAOYSA-N
XLogP3.79
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-6-propan-2-yloxyquinazoline?
The IUPAC name of 4-chloro-5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-6-propan-2-yloxyquinazoline (CID 146510078) is 4-chloro-5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-6-propan-2-yloxyquinazoline.
What is the SMILES notation for 4-chloro-5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-6-propan-2-yloxyquinazoline?
The canonical SMILES for 4-chloro-5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-6-propan-2-yloxyquinazoline is CC(C)Oc1ccc2ncnc(Cl)c2c1OC1CCN(C)CC1(F)F.
What is the InChIKey of 4-chloro-5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-6-propan-2-yloxyquinazoline?
The InChIKey is NDBMXMPCYGKFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClF2N3O2/c1-10(2)24-12-5-4-11-14(16(18)22-9-21-11)15(12)25-13-6-7-23(3)8-17(13,19)20/h4-5,9-10,13H,6-8H2,1-3H3.
What are the key properties of 4-chloro-5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-6-propan-2-yloxyquinazoline?
4-chloro-5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-6-propan-2-yloxyquinazoline has a molecular weight of 371.82 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-6-propan-2-yloxyquinazoline is sourced from PubChem (CID 146510078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).