N-[5-[3-[2-(2,5-dimethoxyphenyl)ethyl]-4-oxoquinazolin-6-yl]-6-methyl-2-pyridinyl]acetamide

C26H26N4O4 — CID 155530055

IUPACN-[5-[3-[2-(2,5-dimethoxyphenyl)ethyl]-4-oxoquinazolin-6-yl]-6-methyl-2-pyridinyl]acetamide
SMILESCOc1ccc(OC)c(CCn2cnc3ccc(-c4ccc(NC(C)=O)nc4C)cc3c2=O)c1
InChIInChI=1S/C26H26N4O4/c1-16-21(7-10-25(28-16)29-17(2)31)18-5-8-23-22(14-18)26(32)30(15-27-23)12-11-19-13-20(33-3)6-9-24(19)34-4/h5-10,13-15H,11-12H2,1-4H3,(H,28,29,31)
InChIKeyFPXDQZUOFXALPE-UHFFFAOYSA-N
MW458.52 g/mol
LogP3.99
Rot. Bonds7

About N-[5-[3-[2-(2,5-dimethoxyphenyl)ethyl]-4-oxoquinazolin-6-yl]-6-methyl-2-pyridinyl]acetamide

N-[5-[3-[2-(2,5-dimethoxyphenyl)ethyl]-4-oxoquinazolin-6-yl]-6-methyl-2-pyridinyl]acetamide (PubChem CID 155530055) has the molecular formula C26H26N4O4 and a molecular weight of 458.52 g/mol. Its IUPAC name is N-[5-[3-[2-(2,5-dimethoxyphenyl)ethyl]-4-oxoquinazolin-6-yl]-6-methyl-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-[3-[2-(2,5-dimethoxyphenyl)ethyl]-4-oxoquinazolin-6-yl]-6-methyl-2-pyridinyl]acetamide
PubChem CID155530055
Molecular FormulaC26H26N4O4
Molecular Weight458.52 g/mol
Exact Mass458.20
IUPAC NameN-[5-[3-[2-(2,5-dimethoxyphenyl)ethyl]-4-oxoquinazolin-6-yl]-6-methyl-2-pyridinyl]acetamide
SMILESCOc1ccc(OC)c(CCn2cnc3ccc(-c4ccc(NC(C)=O)nc4C)cc3c2=O)c1
InChIInChI=1S/C26H26N4O4/c1-16-21(7-10-25(28-16)29-17(2)31)18-5-8-23-22(14-18)26(32)30(15-27-23)12-11-19-13-20(33-3)6-9-24(19)34-4/h5-10,13-15H,11-12H2,1-4H3,(H,28,29,31)
InChIKeyFPXDQZUOFXALPE-UHFFFAOYSA-N
XLogP3.99
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[2-(2,5-dimethoxyphenyl)ethyl]-4-oxoquinazolin-6-yl]-6-methyl-2-pyridinyl]acetamide?
The IUPAC name of N-[5-[3-[2-(2,5-dimethoxyphenyl)ethyl]-4-oxoquinazolin-6-yl]-6-methyl-2-pyridinyl]acetamide (CID 155530055) is N-[5-[3-[2-(2,5-dimethoxyphenyl)ethyl]-4-oxoquinazolin-6-yl]-6-methyl-2-pyridinyl]acetamide.
What is the SMILES notation for N-[5-[3-[2-(2,5-dimethoxyphenyl)ethyl]-4-oxoquinazolin-6-yl]-6-methyl-2-pyridinyl]acetamide?
The canonical SMILES for N-[5-[3-[2-(2,5-dimethoxyphenyl)ethyl]-4-oxoquinazolin-6-yl]-6-methyl-2-pyridinyl]acetamide is COc1ccc(OC)c(CCn2cnc3ccc(-c4ccc(NC(C)=O)nc4C)cc3c2=O)c1.
What is the InChIKey of N-[5-[3-[2-(2,5-dimethoxyphenyl)ethyl]-4-oxoquinazolin-6-yl]-6-methyl-2-pyridinyl]acetamide?
The InChIKey is FPXDQZUOFXALPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O4/c1-16-21(7-10-25(28-16)29-17(2)31)18-5-8-23-22(14-18)26(32)30(15-27-23)12-11-19-13-20(33-3)6-9-24(19)34-4/h5-10,13-15H,11-12H2,1-4H3,(H,28,29,31).
What are the key properties of N-[5-[3-[2-(2,5-dimethoxyphenyl)ethyl]-4-oxoquinazolin-6-yl]-6-methyl-2-pyridinyl]acetamide?
N-[5-[3-[2-(2,5-dimethoxyphenyl)ethyl]-4-oxoquinazolin-6-yl]-6-methyl-2-pyridinyl]acetamide has a molecular weight of 458.52 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-[2-(2,5-dimethoxyphenyl)ethyl]-4-oxoquinazolin-6-yl]-6-methyl-2-pyridinyl]acetamide is sourced from PubChem (CID 155530055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).