3-fluoro-5-[(8-piperidin-4-yloxyquinazolin-2-yl)amino]-N-propan-2-ylbenzamide

C23H26FN5O2 — CID 67102265

IUPAC3-fluoro-5-[(8-piperidin-4-yloxyquinazolin-2-yl)amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cc(F)cc(Nc2ncc3cccc(OC4CCNCC4)c3n2)c1
InChIInChI=1S/C23H26FN5O2/c1-14(2)27-22(30)16-10-17(24)12-18(11-16)28-23-26-13-15-4-3-5-20(21(15)29-23)31-19-6-8-25-9-7-19/h3-5,10-14,19,25H,6-9H2,1-2H3,(H,27,30)(H,26,28,29)
InChIKeyVHEQTCQWKOQIOY-UHFFFAOYSA-N
MW423.49 g/mol
LogP3.78
Rot. Bonds6

About 3-fluoro-5-[(8-piperidin-4-yloxyquinazolin-2-yl)amino]-N-propan-2-ylbenzamide

3-fluoro-5-[(8-piperidin-4-yloxyquinazolin-2-yl)amino]-N-propan-2-ylbenzamide (PubChem CID 67102265) has the molecular formula C23H26FN5O2 and a molecular weight of 423.49 g/mol. Its IUPAC name is 3-fluoro-5-[(8-piperidin-4-yloxyquinazolin-2-yl)amino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-fluoro-5-[(8-piperidin-4-yloxyquinazolin-2-yl)amino]-N-propan-2-ylbenzamide
PubChem CID67102265
Molecular FormulaC23H26FN5O2
Molecular Weight423.49 g/mol
Exact Mass423.21
IUPAC Name3-fluoro-5-[(8-piperidin-4-yloxyquinazolin-2-yl)amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cc(F)cc(Nc2ncc3cccc(OC4CCNCC4)c3n2)c1
InChIInChI=1S/C23H26FN5O2/c1-14(2)27-22(30)16-10-17(24)12-18(11-16)28-23-26-13-15-4-3-5-20(21(15)29-23)31-19-6-8-25-9-7-19/h3-5,10-14,19,25H,6-9H2,1-2H3,(H,27,30)(H,26,28,29)
InChIKeyVHEQTCQWKOQIOY-UHFFFAOYSA-N
XLogP3.78
TPSA88.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[(8-piperidin-4-yloxyquinazolin-2-yl)amino]-N-propan-2-ylbenzamide?
The IUPAC name of 3-fluoro-5-[(8-piperidin-4-yloxyquinazolin-2-yl)amino]-N-propan-2-ylbenzamide (CID 67102265) is 3-fluoro-5-[(8-piperidin-4-yloxyquinazolin-2-yl)amino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-fluoro-5-[(8-piperidin-4-yloxyquinazolin-2-yl)amino]-N-propan-2-ylbenzamide?
The canonical SMILES for 3-fluoro-5-[(8-piperidin-4-yloxyquinazolin-2-yl)amino]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1cc(F)cc(Nc2ncc3cccc(OC4CCNCC4)c3n2)c1.
What is the InChIKey of 3-fluoro-5-[(8-piperidin-4-yloxyquinazolin-2-yl)amino]-N-propan-2-ylbenzamide?
The InChIKey is VHEQTCQWKOQIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O2/c1-14(2)27-22(30)16-10-17(24)12-18(11-16)28-23-26-13-15-4-3-5-20(21(15)29-23)31-19-6-8-25-9-7-19/h3-5,10-14,19,25H,6-9H2,1-2H3,(H,27,30)(H,26,28,29).
What are the key properties of 3-fluoro-5-[(8-piperidin-4-yloxyquinazolin-2-yl)amino]-N-propan-2-ylbenzamide?
3-fluoro-5-[(8-piperidin-4-yloxyquinazolin-2-yl)amino]-N-propan-2-ylbenzamide has a molecular weight of 423.49 g/mol, XLogP of 3.78, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[(8-piperidin-4-yloxyquinazolin-2-yl)amino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 67102265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).