N-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-2-(4-pyrrol-1-yloxan-4-yl)acetamide

C22H26N4O4 — CID 91639946

IUPACN-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-2-(4-pyrrol-1-yloxan-4-yl)acetamide
SMILESCOCCn1cnc2ccc(NC(=O)CC3(n4cccc4)CCOCC3)cc2c1=O
InChIInChI=1S/C22H26N4O4/c1-29-13-10-25-16-23-19-5-4-17(14-18(19)21(25)28)24-20(27)15-22(6-11-30-12-7-22)26-8-2-3-9-26/h2-5,8-9,14,16H,6-7,10-13,15H2,1H3,(H,24,27)
InChIKeyDFROOEFFLLXUFU-UHFFFAOYSA-N
MW410.47 g/mol
LogP2.38
Rot. Bonds7

About N-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-2-(4-pyrrol-1-yloxan-4-yl)acetamide

N-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-2-(4-pyrrol-1-yloxan-4-yl)acetamide (PubChem CID 91639946) has the molecular formula C22H26N4O4 and a molecular weight of 410.47 g/mol. Its IUPAC name is N-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-2-(4-pyrrol-1-yloxan-4-yl)acetamide.

Molecular Properties

Compound NameN-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-2-(4-pyrrol-1-yloxan-4-yl)acetamide
PubChem CID91639946
Molecular FormulaC22H26N4O4
Molecular Weight410.47 g/mol
Exact Mass410.20
IUPAC NameN-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-2-(4-pyrrol-1-yloxan-4-yl)acetamide
SMILESCOCCn1cnc2ccc(NC(=O)CC3(n4cccc4)CCOCC3)cc2c1=O
InChIInChI=1S/C22H26N4O4/c1-29-13-10-25-16-23-19-5-4-17(14-18(19)21(25)28)24-20(27)15-22(6-11-30-12-7-22)26-8-2-3-9-26/h2-5,8-9,14,16H,6-7,10-13,15H2,1H3,(H,24,27)
InChIKeyDFROOEFFLLXUFU-UHFFFAOYSA-N
XLogP2.38
TPSA87.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-2-(4-pyrrol-1-yloxan-4-yl)acetamide?
The IUPAC name of N-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-2-(4-pyrrol-1-yloxan-4-yl)acetamide (CID 91639946) is N-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-2-(4-pyrrol-1-yloxan-4-yl)acetamide.
What is the SMILES notation for N-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-2-(4-pyrrol-1-yloxan-4-yl)acetamide?
The canonical SMILES for N-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-2-(4-pyrrol-1-yloxan-4-yl)acetamide is COCCn1cnc2ccc(NC(=O)CC3(n4cccc4)CCOCC3)cc2c1=O.
What is the InChIKey of N-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-2-(4-pyrrol-1-yloxan-4-yl)acetamide?
The InChIKey is DFROOEFFLLXUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4/c1-29-13-10-25-16-23-19-5-4-17(14-18(19)21(25)28)24-20(27)15-22(6-11-30-12-7-22)26-8-2-3-9-26/h2-5,8-9,14,16H,6-7,10-13,15H2,1H3,(H,24,27).
What are the key properties of N-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-2-(4-pyrrol-1-yloxan-4-yl)acetamide?
N-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-2-(4-pyrrol-1-yloxan-4-yl)acetamide has a molecular weight of 410.47 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-2-(4-pyrrol-1-yloxan-4-yl)acetamide is sourced from PubChem (CID 91639946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).