5-fluoro-2-N-methyl-2-N-[3-(2-methylimidazol-1-yl)propyl]-4-N-(quinolin-2-ylmethyl)quinazoline-2,4-diamine

C26H26FN7 — CID 167802384

IUPAC5-fluoro-2-N-methyl-2-N-[3-(2-methylimidazol-1-yl)propyl]-4-N-(quinolin-2-ylmethyl)quinazoline-2,4-diamine
SMILESCc1nccn1CCCN(C)c1nc(NCc2ccc3ccccc3n2)c2c(F)cccc2n1
InChIInChI=1S/C26H26FN7/c1-18-28-13-16-34(18)15-6-14-33(2)26-31-23-10-5-8-21(27)24(23)25(32-26)29-17-20-12-11-19-7-3-4-9-22(19)30-20/h3-5,7-13,16H,6,14-15,17H2,1-2H3,(H,29,31,32)
InChIKeyMAGZQKLJFUNCDZ-UHFFFAOYSA-N
MW455.54 g/mol
LogP4.96
Rot. Bonds8

About 5-fluoro-2-N-methyl-2-N-[3-(2-methylimidazol-1-yl)propyl]-4-N-(quinolin-2-ylmethyl)quinazoline-2,4-diamine

5-fluoro-2-N-methyl-2-N-[3-(2-methylimidazol-1-yl)propyl]-4-N-(quinolin-2-ylmethyl)quinazoline-2,4-diamine (PubChem CID 167802384) has the molecular formula C26H26FN7 and a molecular weight of 455.54 g/mol. Its IUPAC name is 5-fluoro-2-N-methyl-2-N-[3-(2-methylimidazol-1-yl)propyl]-4-N-(quinolin-2-ylmethyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-2-N-methyl-2-N-[3-(2-methylimidazol-1-yl)propyl]-4-N-(quinolin-2-ylmethyl)quinazoline-2,4-diamine
PubChem CID167802384
Molecular FormulaC26H26FN7
Molecular Weight455.54 g/mol
Exact Mass455.22
IUPAC Name5-fluoro-2-N-methyl-2-N-[3-(2-methylimidazol-1-yl)propyl]-4-N-(quinolin-2-ylmethyl)quinazoline-2,4-diamine
SMILESCc1nccn1CCCN(C)c1nc(NCc2ccc3ccccc3n2)c2c(F)cccc2n1
InChIInChI=1S/C26H26FN7/c1-18-28-13-16-34(18)15-6-14-33(2)26-31-23-10-5-8-21(27)24(23)25(32-26)29-17-20-12-11-19-7-3-4-9-22(19)30-20/h3-5,7-13,16H,6,14-15,17H2,1-2H3,(H,29,31,32)
InChIKeyMAGZQKLJFUNCDZ-UHFFFAOYSA-N
XLogP4.96
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.54
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-N-methyl-2-N-[3-(2-methylimidazol-1-yl)propyl]-4-N-(quinolin-2-ylmethyl)quinazoline-2,4-diamine?
The IUPAC name of 5-fluoro-2-N-methyl-2-N-[3-(2-methylimidazol-1-yl)propyl]-4-N-(quinolin-2-ylmethyl)quinazoline-2,4-diamine (CID 167802384) is 5-fluoro-2-N-methyl-2-N-[3-(2-methylimidazol-1-yl)propyl]-4-N-(quinolin-2-ylmethyl)quinazoline-2,4-diamine.
What is the SMILES notation for 5-fluoro-2-N-methyl-2-N-[3-(2-methylimidazol-1-yl)propyl]-4-N-(quinolin-2-ylmethyl)quinazoline-2,4-diamine?
The canonical SMILES for 5-fluoro-2-N-methyl-2-N-[3-(2-methylimidazol-1-yl)propyl]-4-N-(quinolin-2-ylmethyl)quinazoline-2,4-diamine is Cc1nccn1CCCN(C)c1nc(NCc2ccc3ccccc3n2)c2c(F)cccc2n1.
What is the InChIKey of 5-fluoro-2-N-methyl-2-N-[3-(2-methylimidazol-1-yl)propyl]-4-N-(quinolin-2-ylmethyl)quinazoline-2,4-diamine?
The InChIKey is MAGZQKLJFUNCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN7/c1-18-28-13-16-34(18)15-6-14-33(2)26-31-23-10-5-8-21(27)24(23)25(32-26)29-17-20-12-11-19-7-3-4-9-22(19)30-20/h3-5,7-13,16H,6,14-15,17H2,1-2H3,(H,29,31,32).
What are the key properties of 5-fluoro-2-N-methyl-2-N-[3-(2-methylimidazol-1-yl)propyl]-4-N-(quinolin-2-ylmethyl)quinazoline-2,4-diamine?
5-fluoro-2-N-methyl-2-N-[3-(2-methylimidazol-1-yl)propyl]-4-N-(quinolin-2-ylmethyl)quinazoline-2,4-diamine has a molecular weight of 455.54 g/mol, XLogP of 4.96, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-N-methyl-2-N-[3-(2-methylimidazol-1-yl)propyl]-4-N-(quinolin-2-ylmethyl)quinazoline-2,4-diamine is sourced from PubChem (CID 167802384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).