N-[4-[6-(5,6-dimethoxy-3-pyridinyl)-4-methylquinazolin-8-yl]phenyl]-2-hydroxy-2-methylpropanamide

C26H26N4O4 — CID 176898167

IUPACN-[4-[6-(5,6-dimethoxy-3-pyridinyl)-4-methylquinazolin-8-yl]phenyl]-2-hydroxy-2-methylpropanamide
SMILESCOc1cc(-c2cc(-c3ccc(NC(=O)C(C)(C)O)cc3)c3ncnc(C)c3c2)cnc1OC
InChIInChI=1S/C26H26N4O4/c1-15-20-10-17(18-12-22(33-4)24(34-5)27-13-18)11-21(23(20)29-14-28-15)16-6-8-19(9-7-16)30-25(31)26(2,3)32/h6-14,32H,1-5H3,(H,30,31)
InChIKeyWHCMREBAHDDULF-UHFFFAOYSA-N
MW458.52 g/mol
LogP4.39
Rot. Bonds6

About N-[4-[6-(5,6-dimethoxy-3-pyridinyl)-4-methylquinazolin-8-yl]phenyl]-2-hydroxy-2-methylpropanamide

N-[4-[6-(5,6-dimethoxy-3-pyridinyl)-4-methylquinazolin-8-yl]phenyl]-2-hydroxy-2-methylpropanamide (PubChem CID 176898167) has the molecular formula C26H26N4O4 and a molecular weight of 458.52 g/mol. Its IUPAC name is N-[4-[6-(5,6-dimethoxy-3-pyridinyl)-4-methylquinazolin-8-yl]phenyl]-2-hydroxy-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[6-(5,6-dimethoxy-3-pyridinyl)-4-methylquinazolin-8-yl]phenyl]-2-hydroxy-2-methylpropanamide
PubChem CID176898167
Molecular FormulaC26H26N4O4
Molecular Weight458.52 g/mol
Exact Mass458.20
IUPAC NameN-[4-[6-(5,6-dimethoxy-3-pyridinyl)-4-methylquinazolin-8-yl]phenyl]-2-hydroxy-2-methylpropanamide
SMILESCOc1cc(-c2cc(-c3ccc(NC(=O)C(C)(C)O)cc3)c3ncnc(C)c3c2)cnc1OC
InChIInChI=1S/C26H26N4O4/c1-15-20-10-17(18-12-22(33-4)24(34-5)27-13-18)11-21(23(20)29-14-28-15)16-6-8-19(9-7-16)30-25(31)26(2,3)32/h6-14,32H,1-5H3,(H,30,31)
InChIKeyWHCMREBAHDDULF-UHFFFAOYSA-N
XLogP4.39
TPSA106.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(5,6-dimethoxy-3-pyridinyl)-4-methylquinazolin-8-yl]phenyl]-2-hydroxy-2-methylpropanamide?
The IUPAC name of N-[4-[6-(5,6-dimethoxy-3-pyridinyl)-4-methylquinazolin-8-yl]phenyl]-2-hydroxy-2-methylpropanamide (CID 176898167) is N-[4-[6-(5,6-dimethoxy-3-pyridinyl)-4-methylquinazolin-8-yl]phenyl]-2-hydroxy-2-methylpropanamide.
What is the SMILES notation for N-[4-[6-(5,6-dimethoxy-3-pyridinyl)-4-methylquinazolin-8-yl]phenyl]-2-hydroxy-2-methylpropanamide?
The canonical SMILES for N-[4-[6-(5,6-dimethoxy-3-pyridinyl)-4-methylquinazolin-8-yl]phenyl]-2-hydroxy-2-methylpropanamide is COc1cc(-c2cc(-c3ccc(NC(=O)C(C)(C)O)cc3)c3ncnc(C)c3c2)cnc1OC.
What is the InChIKey of N-[4-[6-(5,6-dimethoxy-3-pyridinyl)-4-methylquinazolin-8-yl]phenyl]-2-hydroxy-2-methylpropanamide?
The InChIKey is WHCMREBAHDDULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O4/c1-15-20-10-17(18-12-22(33-4)24(34-5)27-13-18)11-21(23(20)29-14-28-15)16-6-8-19(9-7-16)30-25(31)26(2,3)32/h6-14,32H,1-5H3,(H,30,31).
What are the key properties of N-[4-[6-(5,6-dimethoxy-3-pyridinyl)-4-methylquinazolin-8-yl]phenyl]-2-hydroxy-2-methylpropanamide?
N-[4-[6-(5,6-dimethoxy-3-pyridinyl)-4-methylquinazolin-8-yl]phenyl]-2-hydroxy-2-methylpropanamide has a molecular weight of 458.52 g/mol, XLogP of 4.39, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(5,6-dimethoxy-3-pyridinyl)-4-methylquinazolin-8-yl]phenyl]-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 176898167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).