N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide

C25H24N4O4 — CID 55844680

IUPACN-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
SMILESCOc1cc(CNC(=O)Cn2cnc3c(C)cccc3c2=O)ccc1OCc1ccncc1
InChIInChI=1S/C25H24N4O4/c1-17-4-3-5-20-24(17)28-16-29(25(20)31)14-23(30)27-13-19-6-7-21(22(12-19)32-2)33-15-18-8-10-26-11-9-18/h3-12,16H,13-15H2,1-2H3,(H,27,30)
InChIKeyCZBVLVOULLUMHY-UHFFFAOYSA-N
MW444.49 g/mol
LogP3.00
Rot. Bonds8

About N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide

N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide (PubChem CID 55844680) has the molecular formula C25H24N4O4 and a molecular weight of 444.49 g/mol. Its IUPAC name is N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
PubChem CID55844680
Molecular FormulaC25H24N4O4
Molecular Weight444.49 g/mol
Exact Mass444.18
IUPAC NameN-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
SMILESCOc1cc(CNC(=O)Cn2cnc3c(C)cccc3c2=O)ccc1OCc1ccncc1
InChIInChI=1S/C25H24N4O4/c1-17-4-3-5-20-24(17)28-16-29(25(20)31)14-23(30)27-13-19-6-7-21(22(12-19)32-2)33-15-18-8-10-26-11-9-18/h3-12,16H,13-15H2,1-2H3,(H,27,30)
InChIKeyCZBVLVOULLUMHY-UHFFFAOYSA-N
XLogP3.00
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide with MolForge

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Related Compounds

[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
CID 27938467
N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 55804193
2-(8-methyl-4-oxoquinazolin-3-yl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide
CID 39502253
2-(benzotriazol-1-yl)-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]acetamide
CID 47042658
N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 46426810
N-(2-methoxyphenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 17397655
2-(8-methyl-4-oxoquinazolin-3-yl)-N-[[4-(2-methylpropoxy)phenyl]methyl]acetamide
CID 55897690
2-(8-methyl-4-oxoquinazolin-3-yl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide
CID 51298592
N-[(3,4-dimethoxyphenyl)methyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 27559456
N-[3-[[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]methyl]phenyl]furan-2-carboxamide
CID 39228693
methyl 2-methyl-5-[[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]methyl]furan-3-carboxylate
CID 55612647
4-methoxy-N-[2-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]ethyl]benzamide
CID 55878694

Frequently Asked Questions

What is the IUPAC name of N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide (CID 55844680) is N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide is COc1cc(CNC(=O)Cn2cnc3c(C)cccc3c2=O)ccc1OCc1ccncc1.
What is the InChIKey of N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide?
The InChIKey is CZBVLVOULLUMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O4/c1-17-4-3-5-20-24(17)28-16-29(25(20)31)14-23(30)27-13-19-6-7-21(22(12-19)32-2)33-15-18-8-10-26-11-9-18/h3-12,16H,13-15H2,1-2H3,(H,27,30).
What are the key properties of N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide?
N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide has a molecular weight of 444.49 g/mol, XLogP of 3.00, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 55844680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).