6-chloro-8-fluoro-N-methyl-7-(3-methylnaphthalen-1-yl)quinazolin-2-amine

C20H15ClFN3 — CID 146551305

IUPAC6-chloro-8-fluoro-N-methyl-7-(3-methylnaphthalen-1-yl)quinazolin-2-amine
SMILESCNc1ncc2cc(Cl)c(-c3cc(C)cc4ccccc34)c(F)c2n1
InChIInChI=1S/C20H15ClFN3/c1-11-7-12-5-3-4-6-14(12)15(8-11)17-16(21)9-13-10-24-20(23-2)25-19(13)18(17)22/h3-10H,1-2H3,(H,23,24,25)
InChIKeyAHCSNJKHXYNLNT-UHFFFAOYSA-N
MW351.81 g/mol
LogP5.59
Rot. Bonds2

About 6-chloro-8-fluoro-N-methyl-7-(3-methylnaphthalen-1-yl)quinazolin-2-amine

6-chloro-8-fluoro-N-methyl-7-(3-methylnaphthalen-1-yl)quinazolin-2-amine (PubChem CID 146551305) has the molecular formula C20H15ClFN3 and a molecular weight of 351.81 g/mol. Its IUPAC name is 6-chloro-8-fluoro-N-methyl-7-(3-methylnaphthalen-1-yl)quinazolin-2-amine.

Molecular Properties

Compound Name6-chloro-8-fluoro-N-methyl-7-(3-methylnaphthalen-1-yl)quinazolin-2-amine
PubChem CID146551305
Molecular FormulaC20H15ClFN3
Molecular Weight351.81 g/mol
Exact Mass351.09
IUPAC Name6-chloro-8-fluoro-N-methyl-7-(3-methylnaphthalen-1-yl)quinazolin-2-amine
SMILESCNc1ncc2cc(Cl)c(-c3cc(C)cc4ccccc34)c(F)c2n1
InChIInChI=1S/C20H15ClFN3/c1-11-7-12-5-3-4-6-14(12)15(8-11)17-16(21)9-13-10-24-20(23-2)25-19(13)18(17)22/h3-10H,1-2H3,(H,23,24,25)
InChIKeyAHCSNJKHXYNLNT-UHFFFAOYSA-N
XLogP5.59
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.81
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-fluoro-N-methyl-7-(3-methylnaphthalen-1-yl)quinazolin-2-amine?
The IUPAC name of 6-chloro-8-fluoro-N-methyl-7-(3-methylnaphthalen-1-yl)quinazolin-2-amine (CID 146551305) is 6-chloro-8-fluoro-N-methyl-7-(3-methylnaphthalen-1-yl)quinazolin-2-amine.
What is the SMILES notation for 6-chloro-8-fluoro-N-methyl-7-(3-methylnaphthalen-1-yl)quinazolin-2-amine?
The canonical SMILES for 6-chloro-8-fluoro-N-methyl-7-(3-methylnaphthalen-1-yl)quinazolin-2-amine is CNc1ncc2cc(Cl)c(-c3cc(C)cc4ccccc34)c(F)c2n1.
What is the InChIKey of 6-chloro-8-fluoro-N-methyl-7-(3-methylnaphthalen-1-yl)quinazolin-2-amine?
The InChIKey is AHCSNJKHXYNLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFN3/c1-11-7-12-5-3-4-6-14(12)15(8-11)17-16(21)9-13-10-24-20(23-2)25-19(13)18(17)22/h3-10H,1-2H3,(H,23,24,25).
What are the key properties of 6-chloro-8-fluoro-N-methyl-7-(3-methylnaphthalen-1-yl)quinazolin-2-amine?
6-chloro-8-fluoro-N-methyl-7-(3-methylnaphthalen-1-yl)quinazolin-2-amine has a molecular weight of 351.81 g/mol, XLogP of 5.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-fluoro-N-methyl-7-(3-methylnaphthalen-1-yl)quinazolin-2-amine is sourced from PubChem (CID 146551305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).