4-[[6-(3-chloro-4-pyridinyl)quinazolin-2-yl]amino]-N-(2-methoxyethyl)benzamide

C23H20ClN5O2 — CID 71584403

IUPAC4-[[6-(3-chloro-4-pyridinyl)quinazolin-2-yl]amino]-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1ccc(Nc2ncc3cc(-c4ccncc4Cl)ccc3n2)cc1
InChIInChI=1S/C23H20ClN5O2/c1-31-11-10-26-22(30)15-2-5-18(6-3-15)28-23-27-13-17-12-16(4-7-21(17)29-23)19-8-9-25-14-20(19)24/h2-9,12-14H,10-11H2,1H3,(H,26,30)(H,27,28,29)
InChIKeyWRCBLGSACDRFRX-UHFFFAOYSA-N
MW433.90 g/mol
LogP4.47
Rot. Bonds7

About 4-[[6-(3-chloro-4-pyridinyl)quinazolin-2-yl]amino]-N-(2-methoxyethyl)benzamide

4-[[6-(3-chloro-4-pyridinyl)quinazolin-2-yl]amino]-N-(2-methoxyethyl)benzamide (PubChem CID 71584403) has the molecular formula C23H20ClN5O2 and a molecular weight of 433.90 g/mol. Its IUPAC name is 4-[[6-(3-chloro-4-pyridinyl)quinazolin-2-yl]amino]-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name4-[[6-(3-chloro-4-pyridinyl)quinazolin-2-yl]amino]-N-(2-methoxyethyl)benzamide
PubChem CID71584403
Molecular FormulaC23H20ClN5O2
Molecular Weight433.90 g/mol
Exact Mass433.13
IUPAC Name4-[[6-(3-chloro-4-pyridinyl)quinazolin-2-yl]amino]-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1ccc(Nc2ncc3cc(-c4ccncc4Cl)ccc3n2)cc1
InChIInChI=1S/C23H20ClN5O2/c1-31-11-10-26-22(30)15-2-5-18(6-3-15)28-23-27-13-17-12-16(4-7-21(17)29-23)19-8-9-25-14-20(19)24/h2-9,12-14H,10-11H2,1H3,(H,26,30)(H,27,28,29)
InChIKeyWRCBLGSACDRFRX-UHFFFAOYSA-N
XLogP4.47
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.90
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[6-(3-chloro-4-pyridinyl)quinazolin-2-yl]amino]-N-(2-methoxyethyl)benzamide?
The IUPAC name of 4-[[6-(3-chloro-4-pyridinyl)quinazolin-2-yl]amino]-N-(2-methoxyethyl)benzamide (CID 71584403) is 4-[[6-(3-chloro-4-pyridinyl)quinazolin-2-yl]amino]-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 4-[[6-(3-chloro-4-pyridinyl)quinazolin-2-yl]amino]-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 4-[[6-(3-chloro-4-pyridinyl)quinazolin-2-yl]amino]-N-(2-methoxyethyl)benzamide is COCCNC(=O)c1ccc(Nc2ncc3cc(-c4ccncc4Cl)ccc3n2)cc1.
What is the InChIKey of 4-[[6-(3-chloro-4-pyridinyl)quinazolin-2-yl]amino]-N-(2-methoxyethyl)benzamide?
The InChIKey is WRCBLGSACDRFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN5O2/c1-31-11-10-26-22(30)15-2-5-18(6-3-15)28-23-27-13-17-12-16(4-7-21(17)29-23)19-8-9-25-14-20(19)24/h2-9,12-14H,10-11H2,1H3,(H,26,30)(H,27,28,29).
What are the key properties of 4-[[6-(3-chloro-4-pyridinyl)quinazolin-2-yl]amino]-N-(2-methoxyethyl)benzamide?
4-[[6-(3-chloro-4-pyridinyl)quinazolin-2-yl]amino]-N-(2-methoxyethyl)benzamide has a molecular weight of 433.90 g/mol, XLogP of 4.47, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(3-chloro-4-pyridinyl)quinazolin-2-yl]amino]-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 71584403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).