N-(3-chloro-4-fluorophenyl)-6-(2,6-dimethoxy-3-pyridinyl)-2-pyridin-3-ylquinazolin-4-amine

C26H19ClFN5O2 — CID 71274220

IUPACN-(3-chloro-4-fluorophenyl)-6-(2,6-dimethoxy-3-pyridinyl)-2-pyridin-3-ylquinazolin-4-amine
SMILESCOc1ccc(-c2ccc3nc(-c4cccnc4)nc(Nc4ccc(F)c(Cl)c4)c3c2)c(OC)n1
InChIInChI=1S/C26H19ClFN5O2/c1-34-23-10-7-18(26(32-23)35-2)15-5-9-22-19(12-15)25(30-17-6-8-21(28)20(27)13-17)33-24(31-22)16-4-3-11-29-14-16/h3-14H,1-2H3,(H,30,31,33)
InChIKeyWRLAEMXFUJQSBY-UHFFFAOYSA-N
MW487.92 g/mol
LogP6.31
Rot. Bonds6

About N-(3-chloro-4-fluorophenyl)-6-(2,6-dimethoxy-3-pyridinyl)-2-pyridin-3-ylquinazolin-4-amine

N-(3-chloro-4-fluorophenyl)-6-(2,6-dimethoxy-3-pyridinyl)-2-pyridin-3-ylquinazolin-4-amine (PubChem CID 71274220) has the molecular formula C26H19ClFN5O2 and a molecular weight of 487.92 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-6-(2,6-dimethoxy-3-pyridinyl)-2-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-6-(2,6-dimethoxy-3-pyridinyl)-2-pyridin-3-ylquinazolin-4-amine
PubChem CID71274220
Molecular FormulaC26H19ClFN5O2
Molecular Weight487.92 g/mol
Exact Mass487.12
IUPAC NameN-(3-chloro-4-fluorophenyl)-6-(2,6-dimethoxy-3-pyridinyl)-2-pyridin-3-ylquinazolin-4-amine
SMILESCOc1ccc(-c2ccc3nc(-c4cccnc4)nc(Nc4ccc(F)c(Cl)c4)c3c2)c(OC)n1
InChIInChI=1S/C26H19ClFN5O2/c1-34-23-10-7-18(26(32-23)35-2)15-5-9-22-19(12-15)25(30-17-6-8-21(28)20(27)13-17)33-24(31-22)16-4-3-11-29-14-16/h3-14H,1-2H3,(H,30,31,33)
InChIKeyWRLAEMXFUJQSBY-UHFFFAOYSA-N
XLogP6.31
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.92
LogP ≤ 56.31
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-(2,6-dimethoxy-3-pyridinyl)-2-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-6-(2,6-dimethoxy-3-pyridinyl)-2-pyridin-3-ylquinazolin-4-amine (CID 71274220) is N-(3-chloro-4-fluorophenyl)-6-(2,6-dimethoxy-3-pyridinyl)-2-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-6-(2,6-dimethoxy-3-pyridinyl)-2-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-6-(2,6-dimethoxy-3-pyridinyl)-2-pyridin-3-ylquinazolin-4-amine is COc1ccc(-c2ccc3nc(-c4cccnc4)nc(Nc4ccc(F)c(Cl)c4)c3c2)c(OC)n1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-6-(2,6-dimethoxy-3-pyridinyl)-2-pyridin-3-ylquinazolin-4-amine?
The InChIKey is WRLAEMXFUJQSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19ClFN5O2/c1-34-23-10-7-18(26(32-23)35-2)15-5-9-22-19(12-15)25(30-17-6-8-21(28)20(27)13-17)33-24(31-22)16-4-3-11-29-14-16/h3-14H,1-2H3,(H,30,31,33).
What are the key properties of N-(3-chloro-4-fluorophenyl)-6-(2,6-dimethoxy-3-pyridinyl)-2-pyridin-3-ylquinazolin-4-amine?
N-(3-chloro-4-fluorophenyl)-6-(2,6-dimethoxy-3-pyridinyl)-2-pyridin-3-ylquinazolin-4-amine has a molecular weight of 487.92 g/mol, XLogP of 6.31, 6 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-(2,6-dimethoxy-3-pyridinyl)-2-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 71274220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).