8-cyclopentyloxy-N-[(2,5-difluorophenyl)methyl]quinazolin-2-amine

C20H19F2N3O — CID 67101905

IUPAC8-cyclopentyloxy-N-[(2,5-difluorophenyl)methyl]quinazolin-2-amine
SMILESFc1ccc(F)c(CNc2ncc3cccc(OC4CCCC4)c3n2)c1
InChIInChI=1S/C20H19F2N3O/c21-15-8-9-17(22)14(10-15)12-24-20-23-11-13-4-3-7-18(19(13)25-20)26-16-5-1-2-6-16/h3-4,7-11,16H,1-2,5-6,12H2,(H,23,24,25)
InChIKeyPEGQQUHMLZFDTM-UHFFFAOYSA-N
MW355.39 g/mol
LogP4.84
Rot. Bonds5

About 8-cyclopentyloxy-N-[(2,5-difluorophenyl)methyl]quinazolin-2-amine

8-cyclopentyloxy-N-[(2,5-difluorophenyl)methyl]quinazolin-2-amine (PubChem CID 67101905) has the molecular formula C20H19F2N3O and a molecular weight of 355.39 g/mol. Its IUPAC name is 8-cyclopentyloxy-N-[(2,5-difluorophenyl)methyl]quinazolin-2-amine.

Molecular Properties

Compound Name8-cyclopentyloxy-N-[(2,5-difluorophenyl)methyl]quinazolin-2-amine
PubChem CID67101905
Molecular FormulaC20H19F2N3O
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name8-cyclopentyloxy-N-[(2,5-difluorophenyl)methyl]quinazolin-2-amine
SMILESFc1ccc(F)c(CNc2ncc3cccc(OC4CCCC4)c3n2)c1
InChIInChI=1S/C20H19F2N3O/c21-15-8-9-17(22)14(10-15)12-24-20-23-11-13-4-3-7-18(19(13)25-20)26-16-5-1-2-6-16/h3-4,7-11,16H,1-2,5-6,12H2,(H,23,24,25)
InChIKeyPEGQQUHMLZFDTM-UHFFFAOYSA-N
XLogP4.84
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyloxy-N-[(2,5-difluorophenyl)methyl]quinazolin-2-amine?
The IUPAC name of 8-cyclopentyloxy-N-[(2,5-difluorophenyl)methyl]quinazolin-2-amine (CID 67101905) is 8-cyclopentyloxy-N-[(2,5-difluorophenyl)methyl]quinazolin-2-amine.
What is the SMILES notation for 8-cyclopentyloxy-N-[(2,5-difluorophenyl)methyl]quinazolin-2-amine?
The canonical SMILES for 8-cyclopentyloxy-N-[(2,5-difluorophenyl)methyl]quinazolin-2-amine is Fc1ccc(F)c(CNc2ncc3cccc(OC4CCCC4)c3n2)c1.
What is the InChIKey of 8-cyclopentyloxy-N-[(2,5-difluorophenyl)methyl]quinazolin-2-amine?
The InChIKey is PEGQQUHMLZFDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O/c21-15-8-9-17(22)14(10-15)12-24-20-23-11-13-4-3-7-18(19(13)25-20)26-16-5-1-2-6-16/h3-4,7-11,16H,1-2,5-6,12H2,(H,23,24,25).
What are the key properties of 8-cyclopentyloxy-N-[(2,5-difluorophenyl)methyl]quinazolin-2-amine?
8-cyclopentyloxy-N-[(2,5-difluorophenyl)methyl]quinazolin-2-amine has a molecular weight of 355.39 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyloxy-N-[(2,5-difluorophenyl)methyl]quinazolin-2-amine is sourced from PubChem (CID 67101905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).