6-[2-[2-chloro-5-(difluoromethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine

C20H13ClF2N4O — CID 118437849

IUPAC6-[2-[2-chloro-5-(difluoromethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine
SMILESNc1ncnc2ccc(-c3cccnc3-c3cc(OC(F)F)ccc3Cl)cc12
InChIInChI=1S/C20H13ClF2N4O/c21-16-5-4-12(28-20(22)23)9-14(16)18-13(2-1-7-25-18)11-3-6-17-15(8-11)19(24)27-10-26-17/h1-10,20H,(H2,24,26,27)
InChIKeyBTARUNCHRMHJTA-UHFFFAOYSA-N
MW398.80 g/mol
LogP5.20
Rot. Bonds4

About 6-[2-[2-chloro-5-(difluoromethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine

6-[2-[2-chloro-5-(difluoromethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine (PubChem CID 118437849) has the molecular formula C20H13ClF2N4O and a molecular weight of 398.80 g/mol. Its IUPAC name is 6-[2-[2-chloro-5-(difluoromethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-[2-[2-chloro-5-(difluoromethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine
PubChem CID118437849
Molecular FormulaC20H13ClF2N4O
Molecular Weight398.80 g/mol
Exact Mass398.07
IUPAC Name6-[2-[2-chloro-5-(difluoromethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine
SMILESNc1ncnc2ccc(-c3cccnc3-c3cc(OC(F)F)ccc3Cl)cc12
InChIInChI=1S/C20H13ClF2N4O/c21-16-5-4-12(28-20(22)23)9-14(16)18-13(2-1-7-25-18)11-3-6-17-15(8-11)19(24)27-10-26-17/h1-10,20H,(H2,24,26,27)
InChIKeyBTARUNCHRMHJTA-UHFFFAOYSA-N
XLogP5.20
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.80
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[2-chloro-5-(difluoromethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine?
The IUPAC name of 6-[2-[2-chloro-5-(difluoromethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine (CID 118437849) is 6-[2-[2-chloro-5-(difluoromethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine.
What is the SMILES notation for 6-[2-[2-chloro-5-(difluoromethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine?
The canonical SMILES for 6-[2-[2-chloro-5-(difluoromethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine is Nc1ncnc2ccc(-c3cccnc3-c3cc(OC(F)F)ccc3Cl)cc12.
What is the InChIKey of 6-[2-[2-chloro-5-(difluoromethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine?
The InChIKey is BTARUNCHRMHJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClF2N4O/c21-16-5-4-12(28-20(22)23)9-14(16)18-13(2-1-7-25-18)11-3-6-17-15(8-11)19(24)27-10-26-17/h1-10,20H,(H2,24,26,27).
What are the key properties of 6-[2-[2-chloro-5-(difluoromethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine?
6-[2-[2-chloro-5-(difluoromethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine has a molecular weight of 398.80 g/mol, XLogP of 5.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[2-chloro-5-(difluoromethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine is sourced from PubChem (CID 118437849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).