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

C25H17ClFN5 — CID 71274006

IUPACN-(3-chloro-4-fluorophenyl)-6-(6-methyl-3-pyridinyl)-2-pyridin-3-ylquinazolin-4-amine
SMILESCc1ccc(-c2ccc3nc(-c4cccnc4)nc(Nc4ccc(F)c(Cl)c4)c3c2)cn1
InChIInChI=1S/C25H17ClFN5/c1-15-4-5-17(14-29-15)16-6-9-23-20(11-16)25(30-19-7-8-22(27)21(26)12-19)32-24(31-23)18-3-2-10-28-13-18/h2-14H,1H3,(H,30,31,32)
InChIKeyNPWJKYVWZPLASF-UHFFFAOYSA-N
MW441.90 g/mol
LogP6.60
Rot. Bonds4

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

N-(3-chloro-4-fluorophenyl)-6-(6-methyl-3-pyridinyl)-2-pyridin-3-ylquinazolin-4-amine (PubChem CID 71274006) has the molecular formula C25H17ClFN5 and a molecular weight of 441.90 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-6-(6-methyl-3-pyridinyl)-2-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-6-(6-methyl-3-pyridinyl)-2-pyridin-3-ylquinazolin-4-amine
PubChem CID71274006
Molecular FormulaC25H17ClFN5
Molecular Weight441.90 g/mol
Exact Mass441.12
IUPAC NameN-(3-chloro-4-fluorophenyl)-6-(6-methyl-3-pyridinyl)-2-pyridin-3-ylquinazolin-4-amine
SMILESCc1ccc(-c2ccc3nc(-c4cccnc4)nc(Nc4ccc(F)c(Cl)c4)c3c2)cn1
InChIInChI=1S/C25H17ClFN5/c1-15-4-5-17(14-29-15)16-6-9-23-20(11-16)25(30-19-7-8-22(27)21(26)12-19)32-24(31-23)18-3-2-10-28-13-18/h2-14H,1H3,(H,30,31,32)
InChIKeyNPWJKYVWZPLASF-UHFFFAOYSA-N
XLogP6.60
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.90
LogP ≤ 56.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-6-(6-methyl-3-pyridinyl)-2-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-6-(6-methyl-3-pyridinyl)-2-pyridin-3-ylquinazolin-4-amine (CID 71274006) is N-(3-chloro-4-fluorophenyl)-6-(6-methyl-3-pyridinyl)-2-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-6-(6-methyl-3-pyridinyl)-2-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-6-(6-methyl-3-pyridinyl)-2-pyridin-3-ylquinazolin-4-amine is Cc1ccc(-c2ccc3nc(-c4cccnc4)nc(Nc4ccc(F)c(Cl)c4)c3c2)cn1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-6-(6-methyl-3-pyridinyl)-2-pyridin-3-ylquinazolin-4-amine?
The InChIKey is NPWJKYVWZPLASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17ClFN5/c1-15-4-5-17(14-29-15)16-6-9-23-20(11-16)25(30-19-7-8-22(27)21(26)12-19)32-24(31-23)18-3-2-10-28-13-18/h2-14H,1H3,(H,30,31,32).
What are the key properties of N-(3-chloro-4-fluorophenyl)-6-(6-methyl-3-pyridinyl)-2-pyridin-3-ylquinazolin-4-amine?
N-(3-chloro-4-fluorophenyl)-6-(6-methyl-3-pyridinyl)-2-pyridin-3-ylquinazolin-4-amine has a molecular weight of 441.90 g/mol, XLogP of 6.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-6-(6-methyl-3-pyridinyl)-2-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 71274006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).