6-cyclohexyloxy-7-fluoro-N,N-dimethyl-2-pyrazol-1-ylquinazolin-4-amine

C19H22FN5O — CID 141320631

IUPAC6-cyclohexyloxy-7-fluoro-N,N-dimethyl-2-pyrazol-1-ylquinazolin-4-amine
SMILESCN(C)c1nc(-n2cccn2)nc2cc(F)c(OC3CCCCC3)cc12
InChIInChI=1S/C19H22FN5O/c1-24(2)18-14-11-17(26-13-7-4-3-5-8-13)15(20)12-16(14)22-19(23-18)25-10-6-9-21-25/h6,9-13H,3-5,7-8H2,1-2H3
InChIKeyGMKKOEASBQHMLI-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.73
Rot. Bonds4

About 6-cyclohexyloxy-7-fluoro-N,N-dimethyl-2-pyrazol-1-ylquinazolin-4-amine

6-cyclohexyloxy-7-fluoro-N,N-dimethyl-2-pyrazol-1-ylquinazolin-4-amine (PubChem CID 141320631) has the molecular formula C19H22FN5O and a molecular weight of 355.42 g/mol. Its IUPAC name is 6-cyclohexyloxy-7-fluoro-N,N-dimethyl-2-pyrazol-1-ylquinazolin-4-amine.

Molecular Properties

Compound Name6-cyclohexyloxy-7-fluoro-N,N-dimethyl-2-pyrazol-1-ylquinazolin-4-amine
PubChem CID141320631
Molecular FormulaC19H22FN5O
Molecular Weight355.42 g/mol
Exact Mass355.18
IUPAC Name6-cyclohexyloxy-7-fluoro-N,N-dimethyl-2-pyrazol-1-ylquinazolin-4-amine
SMILESCN(C)c1nc(-n2cccn2)nc2cc(F)c(OC3CCCCC3)cc12
InChIInChI=1S/C19H22FN5O/c1-24(2)18-14-11-17(26-13-7-4-3-5-8-13)15(20)12-16(14)22-19(23-18)25-10-6-9-21-25/h6,9-13H,3-5,7-8H2,1-2H3
InChIKeyGMKKOEASBQHMLI-UHFFFAOYSA-N
XLogP3.73
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyloxy-7-fluoro-N,N-dimethyl-2-pyrazol-1-ylquinazolin-4-amine?
The IUPAC name of 6-cyclohexyloxy-7-fluoro-N,N-dimethyl-2-pyrazol-1-ylquinazolin-4-amine (CID 141320631) is 6-cyclohexyloxy-7-fluoro-N,N-dimethyl-2-pyrazol-1-ylquinazolin-4-amine.
What is the SMILES notation for 6-cyclohexyloxy-7-fluoro-N,N-dimethyl-2-pyrazol-1-ylquinazolin-4-amine?
The canonical SMILES for 6-cyclohexyloxy-7-fluoro-N,N-dimethyl-2-pyrazol-1-ylquinazolin-4-amine is CN(C)c1nc(-n2cccn2)nc2cc(F)c(OC3CCCCC3)cc12.
What is the InChIKey of 6-cyclohexyloxy-7-fluoro-N,N-dimethyl-2-pyrazol-1-ylquinazolin-4-amine?
The InChIKey is GMKKOEASBQHMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O/c1-24(2)18-14-11-17(26-13-7-4-3-5-8-13)15(20)12-16(14)22-19(23-18)25-10-6-9-21-25/h6,9-13H,3-5,7-8H2,1-2H3.
What are the key properties of 6-cyclohexyloxy-7-fluoro-N,N-dimethyl-2-pyrazol-1-ylquinazolin-4-amine?
6-cyclohexyloxy-7-fluoro-N,N-dimethyl-2-pyrazol-1-ylquinazolin-4-amine has a molecular weight of 355.42 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyloxy-7-fluoro-N,N-dimethyl-2-pyrazol-1-ylquinazolin-4-amine is sourced from PubChem (CID 141320631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).