2-(4-oxoquinazolin-3-yl)-N-[(3-pyridin-2-yloxyphenyl)methyl]acetamide

C22H18N4O3 — CID 90596320

IUPAC2-(4-oxoquinazolin-3-yl)-N-[(3-pyridin-2-yloxyphenyl)methyl]acetamide
SMILESO=C(Cn1cnc2ccccc2c1=O)NCc1cccc(Oc2ccccn2)c1
InChIInChI=1S/C22H18N4O3/c27-20(14-26-15-25-19-9-2-1-8-18(19)22(26)28)24-13-16-6-5-7-17(12-16)29-21-10-3-4-11-23-21/h1-12,15H,13-14H2,(H,24,27)
InChIKeyLQMLGXFZHHJDAV-UHFFFAOYSA-N
MW386.41 g/mol
LogP2.90
Rot. Bonds6

About 2-(4-oxoquinazolin-3-yl)-N-[(3-pyridin-2-yloxyphenyl)methyl]acetamide

2-(4-oxoquinazolin-3-yl)-N-[(3-pyridin-2-yloxyphenyl)methyl]acetamide (PubChem CID 90596320) has the molecular formula C22H18N4O3 and a molecular weight of 386.41 g/mol. Its IUPAC name is 2-(4-oxoquinazolin-3-yl)-N-[(3-pyridin-2-yloxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-oxoquinazolin-3-yl)-N-[(3-pyridin-2-yloxyphenyl)methyl]acetamide
PubChem CID90596320
Molecular FormulaC22H18N4O3
Molecular Weight386.41 g/mol
Exact Mass386.14
IUPAC Name2-(4-oxoquinazolin-3-yl)-N-[(3-pyridin-2-yloxyphenyl)methyl]acetamide
SMILESO=C(Cn1cnc2ccccc2c1=O)NCc1cccc(Oc2ccccn2)c1
InChIInChI=1S/C22H18N4O3/c27-20(14-26-15-25-19-9-2-1-8-18(19)22(26)28)24-13-16-6-5-7-17(12-16)29-21-10-3-4-11-23-21/h1-12,15H,13-14H2,(H,24,27)
InChIKeyLQMLGXFZHHJDAV-UHFFFAOYSA-N
XLogP2.90
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-oxoquinazolin-3-yl)-N-[(3-pyridin-2-yloxyphenyl)methyl]propanamide
CID 72719244
2-methoxy-N-[(3-pyridin-2-yloxyphenyl)methyl]acetamide
CID 90596122
3-(1,3-dioxoisoindol-2-yl)-N-[(3-pyridin-2-yloxyphenyl)methyl]propanamide
CID 90596248
N-[(3-methoxyphenyl)methyl]-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
CID 84602329
2-(6-bromo-4-oxoquinazolin-3-yl)-N-[[3-(cyanomethoxy)phenyl]methyl]acetamide
CID 86946539
3-phenylsulfanyl-N-[(3-pyridin-2-yloxyphenyl)methyl]propanamide
CID 90596092
1-methyl-6-oxo-N-[(3-pyridin-2-yloxyphenyl)methyl]pyridazine-3-carboxamide
CID 90596207
2-(4-oxoquinazolin-3-yl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide
CID 91625669
N-[4-(3-methylphenoxy)phenyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 7758722
N-benzyl-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide
CID 7886509
(E)-N-[(3-pyridin-2-yloxyphenyl)methyl]but-2-enamide
CID 90596212
2-(4-propan-2-ylphenoxy)-N-[(3-pyridin-2-yloxyphenyl)methyl]acetamide
CID 90596103

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxoquinazolin-3-yl)-N-[(3-pyridin-2-yloxyphenyl)methyl]acetamide?
The IUPAC name of 2-(4-oxoquinazolin-3-yl)-N-[(3-pyridin-2-yloxyphenyl)methyl]acetamide (CID 90596320) is 2-(4-oxoquinazolin-3-yl)-N-[(3-pyridin-2-yloxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-oxoquinazolin-3-yl)-N-[(3-pyridin-2-yloxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(4-oxoquinazolin-3-yl)-N-[(3-pyridin-2-yloxyphenyl)methyl]acetamide is O=C(Cn1cnc2ccccc2c1=O)NCc1cccc(Oc2ccccn2)c1.
What is the InChIKey of 2-(4-oxoquinazolin-3-yl)-N-[(3-pyridin-2-yloxyphenyl)methyl]acetamide?
The InChIKey is LQMLGXFZHHJDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O3/c27-20(14-26-15-25-19-9-2-1-8-18(19)22(26)28)24-13-16-6-5-7-17(12-16)29-21-10-3-4-11-23-21/h1-12,15H,13-14H2,(H,24,27).
What are the key properties of 2-(4-oxoquinazolin-3-yl)-N-[(3-pyridin-2-yloxyphenyl)methyl]acetamide?
2-(4-oxoquinazolin-3-yl)-N-[(3-pyridin-2-yloxyphenyl)methyl]acetamide has a molecular weight of 386.41 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxoquinazolin-3-yl)-N-[(3-pyridin-2-yloxyphenyl)methyl]acetamide is sourced from PubChem (CID 90596320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).