N-[3-(4-aminoquinazolin-6-yl)phenyl]-2-(oxolan-2-yl)acetamide

C20H20N4O2 — CID 90055031

IUPACN-[3-(4-aminoquinazolin-6-yl)phenyl]-2-(oxolan-2-yl)acetamide
SMILESNc1ncnc2ccc(-c3cccc(NC(=O)CC4CCCO4)c3)cc12
InChIInChI=1S/C20H20N4O2/c21-20-17-10-14(6-7-18(17)22-12-23-20)13-3-1-4-15(9-13)24-19(25)11-16-5-2-8-26-16/h1,3-4,6-7,9-10,12,16H,2,5,8,11H2,(H,24,25)(H2,21,22,23)
InChIKeyREBSONLBZXSHMR-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.39
Rot. Bonds4

About N-[3-(4-aminoquinazolin-6-yl)phenyl]-2-(oxolan-2-yl)acetamide

N-[3-(4-aminoquinazolin-6-yl)phenyl]-2-(oxolan-2-yl)acetamide (PubChem CID 90055031) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-[3-(4-aminoquinazolin-6-yl)phenyl]-2-(oxolan-2-yl)acetamide.

Molecular Properties

Compound NameN-[3-(4-aminoquinazolin-6-yl)phenyl]-2-(oxolan-2-yl)acetamide
PubChem CID90055031
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN-[3-(4-aminoquinazolin-6-yl)phenyl]-2-(oxolan-2-yl)acetamide
SMILESNc1ncnc2ccc(-c3cccc(NC(=O)CC4CCCO4)c3)cc12
InChIInChI=1S/C20H20N4O2/c21-20-17-10-14(6-7-18(17)22-12-23-20)13-3-1-4-15(9-13)24-19(25)11-16-5-2-8-26-16/h1,3-4,6-7,9-10,12,16H,2,5,8,11H2,(H,24,25)(H2,21,22,23)
InChIKeyREBSONLBZXSHMR-UHFFFAOYSA-N
XLogP3.39
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(4-aminoquinazolin-6-yl)-5-fluorophenyl]-2-cyclopropylacetamide
CID 90054625
N-[3-(cyclopentylamino)phenyl]-2-[(2S)-oxolan-2-yl]acetamide
CID 95629890
N-(3-chlorophenyl)-2-(oxolan-2-yl)acetamide
CID 47209133
2-(oxolan-2-yl)-N-[3-(sulfamoylamino)phenyl]acetamide
CID 47211352
N-[3-(hydroxymethyl)phenyl]-2-(oxolan-2-yl)acetamide
CID 65155963
2-[(2S)-oxolan-2-yl]-N-(4-oxo-3H-quinazolin-6-yl)acetamide
CID 136827778
N-[3-(2-aminoethoxy)phenyl]-2-(oxolan-2-yl)acetamide
CID 65152316
1-[3-(2-aminopyrimidin-5-yl)phenyl]-3-(oxolan-2-ylmethyl)urea
CID 70921160
2-[(2R)-oxolan-2-yl]-N-(5-phenyl-2-pyridinyl)acetamide
CID 129403217
2-(oxolan-2-yl)-N-[3-[1-(propylamino)ethyl]phenyl]acetamide
CID 65157098
N-(3-methoxyphenyl)-2-(oxan-2-yl)acetamide
CID 110422002
N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-2-[(2S)-oxolan-2-yl]acetamide
CID 94651264

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-aminoquinazolin-6-yl)phenyl]-2-(oxolan-2-yl)acetamide?
The IUPAC name of N-[3-(4-aminoquinazolin-6-yl)phenyl]-2-(oxolan-2-yl)acetamide (CID 90055031) is N-[3-(4-aminoquinazolin-6-yl)phenyl]-2-(oxolan-2-yl)acetamide.
What is the SMILES notation for N-[3-(4-aminoquinazolin-6-yl)phenyl]-2-(oxolan-2-yl)acetamide?
The canonical SMILES for N-[3-(4-aminoquinazolin-6-yl)phenyl]-2-(oxolan-2-yl)acetamide is Nc1ncnc2ccc(-c3cccc(NC(=O)CC4CCCO4)c3)cc12.
What is the InChIKey of N-[3-(4-aminoquinazolin-6-yl)phenyl]-2-(oxolan-2-yl)acetamide?
The InChIKey is REBSONLBZXSHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c21-20-17-10-14(6-7-18(17)22-12-23-20)13-3-1-4-15(9-13)24-19(25)11-16-5-2-8-26-16/h1,3-4,6-7,9-10,12,16H,2,5,8,11H2,(H,24,25)(H2,21,22,23).
What are the key properties of N-[3-(4-aminoquinazolin-6-yl)phenyl]-2-(oxolan-2-yl)acetamide?
N-[3-(4-aminoquinazolin-6-yl)phenyl]-2-(oxolan-2-yl)acetamide has a molecular weight of 348.41 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-aminoquinazolin-6-yl)phenyl]-2-(oxolan-2-yl)acetamide is sourced from PubChem (CID 90055031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).