4-[8-(1-formylpiperidin-3-yl)quinazolin-5-yl]-N-pyridin-2-ylbenzamide

C26H23N5O2 — CID 166829125

IUPAC4-[8-(1-formylpiperidin-3-yl)quinazolin-5-yl]-N-pyridin-2-ylbenzamide
SMILESO=CN1CCCC(c2ccc(-c3ccc(C(=O)Nc4ccccn4)cc3)c3cncnc23)C1
InChIInChI=1S/C26H23N5O2/c32-17-31-13-3-4-20(15-31)22-11-10-21(23-14-27-16-29-25(22)23)18-6-8-19(9-7-18)26(33)30-24-5-1-2-12-28-24/h1-2,5-12,14,16-17,20H,3-4,13,15H2,(H,28,30,33)
InChIKeyALTLGBSQSLHTBO-UHFFFAOYSA-N
MW437.50 g/mol
LogP4.28
Rot. Bonds5

About 4-[8-(1-formylpiperidin-3-yl)quinazolin-5-yl]-N-pyridin-2-ylbenzamide

4-[8-(1-formylpiperidin-3-yl)quinazolin-5-yl]-N-pyridin-2-ylbenzamide (PubChem CID 166829125) has the molecular formula C26H23N5O2 and a molecular weight of 437.50 g/mol. Its IUPAC name is 4-[8-(1-formylpiperidin-3-yl)quinazolin-5-yl]-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound Name4-[8-(1-formylpiperidin-3-yl)quinazolin-5-yl]-N-pyridin-2-ylbenzamide
PubChem CID166829125
Molecular FormulaC26H23N5O2
Molecular Weight437.50 g/mol
Exact Mass437.19
IUPAC Name4-[8-(1-formylpiperidin-3-yl)quinazolin-5-yl]-N-pyridin-2-ylbenzamide
SMILESO=CN1CCCC(c2ccc(-c3ccc(C(=O)Nc4ccccn4)cc3)c3cncnc23)C1
InChIInChI=1S/C26H23N5O2/c32-17-31-13-3-4-20(15-31)22-11-10-21(23-14-27-16-29-25(22)23)18-6-8-19(9-7-18)26(33)30-24-5-1-2-12-28-24/h1-2,5-12,14,16-17,20H,3-4,13,15H2,(H,28,30,33)
InChIKeyALTLGBSQSLHTBO-UHFFFAOYSA-N
XLogP4.28
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 3-[5-[4-(2-pyridin-2-ylacetyl)phenyl]quinazolin-8-yl]piperidine-1-carboxylate
CID 160519669
4-[8-(1-but-2-ynoylpyrrolidin-2-yl)quinazolin-6-yl]-3-chloro-N-pyridin-2-ylbenzamide
CID 134265178
4-[4-(1-prop-2-enoylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-pyridin-2-ylbenzamide
CID 165179286
4-[5,8-dimethyl-3-(1-prop-2-enoylpiperidin-3-yl)imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide
CID 135337923
2-cyclopropyl-1,3-dioxo-N-pyridin-2-ylisoindole-5-carboxamide
CID 29133038
4-[7-chloro-1-[[(3S)-1-prop-2-enoylpiperidin-3-yl]methyl]pyrazolo[4,3-c]pyridin-3-yl]-N-pyridin-2-ylbenzamide
CID 134521324
4-[7-chloro-1-[(1-prop-2-enoylpiperidin-3-yl)methyl]pyrazolo[4,3-c]pyridin-3-yl]-N-pyridin-2-ylbenzamide
CID 134521325
4-[1-[(1-but-2-ynoylpiperidin-3-yl)methyl]-7-chloropyrazolo[4,3-c]pyridin-3-yl]-N-pyridin-2-ylbenzamide
CID 134521476
4-[1-[[(3S)-1-but-2-ynoylpiperidin-3-yl]methyl]-7-chloropyrazolo[4,3-c]pyridin-3-yl]-N-pyridin-2-ylbenzamide
CID 134521499
4-[8-(2-prop-2-enoyl-1,2,3,4-tetrahydropyridin-3-yl)quinazolin-6-yl]-N-pyridin-2-ylbenzamide
CID 170546869
N-pyridin-2-yl-2-pyrrolidin-1-ylpyridine-4-carboxamide
CID 84574823
4-[8-(1-but-2-ynoylpyrrolidin-2-yl)quinazolin-6-yl]-N-(4-fluoro-2-pyridinyl)benzamide
CID 134265032

Frequently Asked Questions

What is the IUPAC name of 4-[8-(1-formylpiperidin-3-yl)quinazolin-5-yl]-N-pyridin-2-ylbenzamide?
The IUPAC name of 4-[8-(1-formylpiperidin-3-yl)quinazolin-5-yl]-N-pyridin-2-ylbenzamide (CID 166829125) is 4-[8-(1-formylpiperidin-3-yl)quinazolin-5-yl]-N-pyridin-2-ylbenzamide.
What is the SMILES notation for 4-[8-(1-formylpiperidin-3-yl)quinazolin-5-yl]-N-pyridin-2-ylbenzamide?
The canonical SMILES for 4-[8-(1-formylpiperidin-3-yl)quinazolin-5-yl]-N-pyridin-2-ylbenzamide is O=CN1CCCC(c2ccc(-c3ccc(C(=O)Nc4ccccn4)cc3)c3cncnc23)C1.
What is the InChIKey of 4-[8-(1-formylpiperidin-3-yl)quinazolin-5-yl]-N-pyridin-2-ylbenzamide?
The InChIKey is ALTLGBSQSLHTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O2/c32-17-31-13-3-4-20(15-31)22-11-10-21(23-14-27-16-29-25(22)23)18-6-8-19(9-7-18)26(33)30-24-5-1-2-12-28-24/h1-2,5-12,14,16-17,20H,3-4,13,15H2,(H,28,30,33).
What are the key properties of 4-[8-(1-formylpiperidin-3-yl)quinazolin-5-yl]-N-pyridin-2-ylbenzamide?
4-[8-(1-formylpiperidin-3-yl)quinazolin-5-yl]-N-pyridin-2-ylbenzamide has a molecular weight of 437.50 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-(1-formylpiperidin-3-yl)quinazolin-5-yl]-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 166829125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).