N-(3-chloro-4-fluorophenyl)-6-(2-morpholin-4-ylethoxy)-2-pyridin-3-ylquinazolin-4-amine

C25H23ClFN5O2 — CID 67298318

IUPACN-(3-chloro-4-fluorophenyl)-6-(2-morpholin-4-ylethoxy)-2-pyridin-3-ylquinazolin-4-amine
SMILESFc1ccc(Nc2nc(-c3cccnc3)nc3ccc(OCCN4CCOCC4)cc23)cc1Cl
InChIInChI=1S/C25H23ClFN5O2/c26-21-14-18(3-5-22(21)27)29-25-20-15-19(34-13-10-32-8-11-33-12-9-32)4-6-23(20)30-24(31-25)17-2-1-7-28-16-17/h1-7,14-16H,8-13H2,(H,29,30,31)
InChIKeyUIPKSGRLRRYHHY-UHFFFAOYSA-N
MW479.94 g/mol
LogP4.94
Rot. Bonds7

About N-(3-chloro-4-fluorophenyl)-6-(2-morpholin-4-ylethoxy)-2-pyridin-3-ylquinazolin-4-amine

N-(3-chloro-4-fluorophenyl)-6-(2-morpholin-4-ylethoxy)-2-pyridin-3-ylquinazolin-4-amine (PubChem CID 67298318) has the molecular formula C25H23ClFN5O2 and a molecular weight of 479.94 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-6-(2-morpholin-4-ylethoxy)-2-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-6-(2-morpholin-4-ylethoxy)-2-pyridin-3-ylquinazolin-4-amine
PubChem CID67298318
Molecular FormulaC25H23ClFN5O2
Molecular Weight479.94 g/mol
Exact Mass479.15
IUPAC NameN-(3-chloro-4-fluorophenyl)-6-(2-morpholin-4-ylethoxy)-2-pyridin-3-ylquinazolin-4-amine
SMILESFc1ccc(Nc2nc(-c3cccnc3)nc3ccc(OCCN4CCOCC4)cc23)cc1Cl
InChIInChI=1S/C25H23ClFN5O2/c26-21-14-18(3-5-22(21)27)29-25-20-15-19(34-13-10-32-8-11-33-12-9-32)4-6-23(20)30-24(31-25)17-2-1-7-28-16-17/h1-7,14-16H,8-13H2,(H,29,30,31)
InChIKeyUIPKSGRLRRYHHY-UHFFFAOYSA-N
XLogP4.94
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.94
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-6-(2-morpholin-4-ylethoxy)-2-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-6-(2-morpholin-4-ylethoxy)-2-pyridin-3-ylquinazolin-4-amine (CID 67298318) is N-(3-chloro-4-fluorophenyl)-6-(2-morpholin-4-ylethoxy)-2-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-6-(2-morpholin-4-ylethoxy)-2-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-6-(2-morpholin-4-ylethoxy)-2-pyridin-3-ylquinazolin-4-amine is Fc1ccc(Nc2nc(-c3cccnc3)nc3ccc(OCCN4CCOCC4)cc23)cc1Cl.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-6-(2-morpholin-4-ylethoxy)-2-pyridin-3-ylquinazolin-4-amine?
The InChIKey is UIPKSGRLRRYHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClFN5O2/c26-21-14-18(3-5-22(21)27)29-25-20-15-19(34-13-10-32-8-11-33-12-9-32)4-6-23(20)30-24(31-25)17-2-1-7-28-16-17/h1-7,14-16H,8-13H2,(H,29,30,31).
What are the key properties of N-(3-chloro-4-fluorophenyl)-6-(2-morpholin-4-ylethoxy)-2-pyridin-3-ylquinazolin-4-amine?
N-(3-chloro-4-fluorophenyl)-6-(2-morpholin-4-ylethoxy)-2-pyridin-3-ylquinazolin-4-amine has a molecular weight of 479.94 g/mol, XLogP of 4.94, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-6-(2-morpholin-4-ylethoxy)-2-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 67298318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).