N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-2-(4-oxoquinazolin-3-yl)acetamide

C23H20N4O4 — CID 46426810

IUPACN-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCOc1ccc(NC(=O)Cn2cnc3ccccc3c2=O)cc1OCc1ccncc1
InChIInChI=1S/C23H20N4O4/c1-30-20-7-6-17(12-21(20)31-14-16-8-10-24-11-9-16)26-22(28)13-27-15-25-19-5-3-2-4-18(19)23(27)29/h2-12,15H,13-14H2,1H3,(H,26,28)
InChIKeyZLQFIEGPQFAXEL-UHFFFAOYSA-N
MW416.44 g/mol
LogP3.02
Rot. Bonds7

About N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-2-(4-oxoquinazolin-3-yl)acetamide

N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-2-(4-oxoquinazolin-3-yl)acetamide (PubChem CID 46426810) has the molecular formula C23H20N4O4 and a molecular weight of 416.44 g/mol. Its IUPAC name is N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-2-(4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-2-(4-oxoquinazolin-3-yl)acetamide
PubChem CID46426810
Molecular FormulaC23H20N4O4
Molecular Weight416.44 g/mol
Exact Mass416.15
IUPAC NameN-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCOc1ccc(NC(=O)Cn2cnc3ccccc3c2=O)cc1OCc1ccncc1
InChIInChI=1S/C23H20N4O4/c1-30-20-7-6-17(12-21(20)31-14-16-8-10-24-11-9-16)26-22(28)13-27-15-25-19-5-3-2-4-18(19)23(27)29/h2-12,15H,13-14H2,1H3,(H,26,28)
InChIKeyZLQFIEGPQFAXEL-UHFFFAOYSA-N
XLogP3.02
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-oxoquinazolin-3-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 7741631
N-(3,4-dimethylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 852114
2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 5048859
N-(3-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 2904511
N-(3-chloro-4-methoxyphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 4903088
3-(4-oxoquinazolin-3-yl)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 26835382
N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 55844680
N-(4-bromophenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 988636
N-(2-ethoxypyrimidin-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 122302050
N-(3,4-dimethoxyphenyl)-2-(4-oxo-5H-pyrimido[5,4-b]indol-3-yl)acetamide
CID 18525529
3-methyl-N-[4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]butanamide
CID 33026865
2-methyl-N-[4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]propanamide
CID 42119047

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-2-(4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-2-(4-oxoquinazolin-3-yl)acetamide (CID 46426810) is N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-2-(4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-2-(4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-2-(4-oxoquinazolin-3-yl)acetamide is COc1ccc(NC(=O)Cn2cnc3ccccc3c2=O)cc1OCc1ccncc1.
What is the InChIKey of N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-2-(4-oxoquinazolin-3-yl)acetamide?
The InChIKey is ZLQFIEGPQFAXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O4/c1-30-20-7-6-17(12-21(20)31-14-16-8-10-24-11-9-16)26-22(28)13-27-15-25-19-5-3-2-4-18(19)23(27)29/h2-12,15H,13-14H2,1H3,(H,26,28).
What are the key properties of N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-2-(4-oxoquinazolin-3-yl)acetamide?
N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-2-(4-oxoquinazolin-3-yl)acetamide has a molecular weight of 416.44 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-2-(4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 46426810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).