N-(3-chloro-4-fluorophenyl)-8-methyl-6-(6-methyl-3-pyridinyl)-2-pyridin-3-ylquinazolin-4-amine

C26H19ClFN5 — CID 71274038

IUPACN-(3-chloro-4-fluorophenyl)-8-methyl-6-(6-methyl-3-pyridinyl)-2-pyridin-3-ylquinazolin-4-amine
SMILESCc1ccc(-c2cc(C)c3nc(-c4cccnc4)nc(Nc4ccc(F)c(Cl)c4)c3c2)cn1
InChIInChI=1S/C26H19ClFN5/c1-15-10-19(17-6-5-16(2)30-14-17)11-21-24(15)32-25(18-4-3-9-29-13-18)33-26(21)31-20-7-8-23(28)22(27)12-20/h3-14H,1-2H3,(H,31,32,33)
InChIKeyMUKWRGXIFBEBRQ-UHFFFAOYSA-N
MW455.92 g/mol
LogP6.91
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-8-methyl-6-(6-methyl-3-pyridinyl)-2-pyridin-3-ylquinazolin-4-amine

N-(3-chloro-4-fluorophenyl)-8-methyl-6-(6-methyl-3-pyridinyl)-2-pyridin-3-ylquinazolin-4-amine (PubChem CID 71274038) has the molecular formula C26H19ClFN5 and a molecular weight of 455.92 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-8-methyl-6-(6-methyl-3-pyridinyl)-2-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-8-methyl-6-(6-methyl-3-pyridinyl)-2-pyridin-3-ylquinazolin-4-amine
PubChem CID71274038
Molecular FormulaC26H19ClFN5
Molecular Weight455.92 g/mol
Exact Mass455.13
IUPAC NameN-(3-chloro-4-fluorophenyl)-8-methyl-6-(6-methyl-3-pyridinyl)-2-pyridin-3-ylquinazolin-4-amine
SMILESCc1ccc(-c2cc(C)c3nc(-c4cccnc4)nc(Nc4ccc(F)c(Cl)c4)c3c2)cn1
InChIInChI=1S/C26H19ClFN5/c1-15-10-19(17-6-5-16(2)30-14-17)11-21-24(15)32-25(18-4-3-9-29-13-18)33-26(21)31-20-7-8-23(28)22(27)12-20/h3-14H,1-2H3,(H,31,32,33)
InChIKeyMUKWRGXIFBEBRQ-UHFFFAOYSA-N
XLogP6.91
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.92
LogP ≤ 56.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-chloro-4-fluorophenyl)-8-methyl-6-(6-methyl-3-pyridinyl)-2-pyridin-3-ylquinazolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-8-methyl-6-(6-methyl-3-pyridinyl)-2-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-8-methyl-6-(6-methyl-3-pyridinyl)-2-pyridin-3-ylquinazolin-4-amine (CID 71274038) is N-(3-chloro-4-fluorophenyl)-8-methyl-6-(6-methyl-3-pyridinyl)-2-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-8-methyl-6-(6-methyl-3-pyridinyl)-2-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-8-methyl-6-(6-methyl-3-pyridinyl)-2-pyridin-3-ylquinazolin-4-amine is Cc1ccc(-c2cc(C)c3nc(-c4cccnc4)nc(Nc4ccc(F)c(Cl)c4)c3c2)cn1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-8-methyl-6-(6-methyl-3-pyridinyl)-2-pyridin-3-ylquinazolin-4-amine?
The InChIKey is MUKWRGXIFBEBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19ClFN5/c1-15-10-19(17-6-5-16(2)30-14-17)11-21-24(15)32-25(18-4-3-9-29-13-18)33-26(21)31-20-7-8-23(28)22(27)12-20/h3-14H,1-2H3,(H,31,32,33).
What are the key properties of N-(3-chloro-4-fluorophenyl)-8-methyl-6-(6-methyl-3-pyridinyl)-2-pyridin-3-ylquinazolin-4-amine?
N-(3-chloro-4-fluorophenyl)-8-methyl-6-(6-methyl-3-pyridinyl)-2-pyridin-3-ylquinazolin-4-amine has a molecular weight of 455.92 g/mol, XLogP of 6.91, 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)-8-methyl-6-(6-methyl-3-pyridinyl)-2-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 71274038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).