4-chloro-5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-7-methoxyquinazoline

C15H16ClF2N3O2 — CID 146181446

IUPAC4-chloro-5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-7-methoxyquinazoline
SMILESCOc1cc(OC2CCN(C)CC2(F)F)c2c(Cl)ncnc2c1
InChIInChI=1S/C15H16ClF2N3O2/c1-21-4-3-12(15(17,18)7-21)23-11-6-9(22-2)5-10-13(11)14(16)20-8-19-10/h5-6,8,12H,3-4,7H2,1-2H3
InChIKeyZAJHCBDYWZAXDM-UHFFFAOYSA-N
MW343.76 g/mol
LogP3.01
Rot. Bonds3

About 4-chloro-5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-7-methoxyquinazoline

4-chloro-5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-7-methoxyquinazoline (PubChem CID 146181446) has the molecular formula C15H16ClF2N3O2 and a molecular weight of 343.76 g/mol. Its IUPAC name is 4-chloro-5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-7-methoxyquinazoline.

Molecular Properties

Compound Name4-chloro-5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-7-methoxyquinazoline
PubChem CID146181446
Molecular FormulaC15H16ClF2N3O2
Molecular Weight343.76 g/mol
Exact Mass343.09
IUPAC Name4-chloro-5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-7-methoxyquinazoline
SMILESCOc1cc(OC2CCN(C)CC2(F)F)c2c(Cl)ncnc2c1
InChIInChI=1S/C15H16ClF2N3O2/c1-21-4-3-12(15(17,18)7-21)23-11-6-9(22-2)5-10-13(11)14(16)20-8-19-10/h5-6,8,12H,3-4,7H2,1-2H3
InChIKeyZAJHCBDYWZAXDM-UHFFFAOYSA-N
XLogP3.01
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.76
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(5-chloro-1,3-benzodioxol-4-yl)oxy]-5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-7-methoxyquinazoline
CID 155767973
[4-chloro-3-[[5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-7-methoxyquinazolin-4-yl]amino]-2-methylphenoxy]methanol
CID 167056614
4-chloro-5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-6-propan-2-yloxyquinazoline
CID 146510078
5-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]oxy-N-(5-fluoro-1,3-benzodioxol-4-yl)-7-(trideuteriomethoxy)quinazolin-4-amine
CID 155767972
5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-[4-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)oxy]-3-methylphenyl]-7-methoxyquinazolin-4-amine
CID 159238838
4-chloro-7-methoxy-5-propoxyquinazoline
CID 58710714
4-[3-[4-chloro-5-(oxan-4-yloxy)quinazolin-7-yl]oxypropyl]morpholine
CID 86601567
N-[3-chloro-4-([1,2,4]triazolo[1,5-a]pyridin-6-yloxy)phenyl]-5-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]oxy-6-methoxypyrido[3,4-d]pyrimidin-4-amine
CID 166739542
6-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-(3-ethynyl-2-fluorophenyl)-7-methoxyquinazolin-4-amine
CID 137455759
5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-7-fluoro-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)quinazolin-4-amine
CID 155482989
N-(5-chloronaphthalen-1-yl)-7-methoxy-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine;dihydrochloride
CID 22140771
4-chloro-5-(2-methoxyethoxy)-7-[2-(4-methylpiperazin-1-yl)ethoxy]quinazoline
CID 118096744

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-7-methoxyquinazoline?
The IUPAC name of 4-chloro-5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-7-methoxyquinazoline (CID 146181446) is 4-chloro-5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-7-methoxyquinazoline.
What is the SMILES notation for 4-chloro-5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-7-methoxyquinazoline?
The canonical SMILES for 4-chloro-5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-7-methoxyquinazoline is COc1cc(OC2CCN(C)CC2(F)F)c2c(Cl)ncnc2c1.
What is the InChIKey of 4-chloro-5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-7-methoxyquinazoline?
The InChIKey is ZAJHCBDYWZAXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClF2N3O2/c1-21-4-3-12(15(17,18)7-21)23-11-6-9(22-2)5-10-13(11)14(16)20-8-19-10/h5-6,8,12H,3-4,7H2,1-2H3.
What are the key properties of 4-chloro-5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-7-methoxyquinazoline?
4-chloro-5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-7-methoxyquinazoline has a molecular weight of 343.76 g/mol, XLogP of 3.01, 3 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-7-methoxyquinazoline is sourced from PubChem (CID 146181446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).