N-[2-[[2-(3-methoxyphenyl)quinazolin-4-yl]amino]ethyl]acetamide

C19H20N4O2 — CID 3232866

IUPACN-[2-[[2-(3-methoxyphenyl)quinazolin-4-yl]amino]ethyl]acetamide
SMILESCOc1cccc(-c2nc(NCCNC(C)=O)c3ccccc3n2)c1
InChIInChI=1S/C19H20N4O2/c1-13(24)20-10-11-21-19-16-8-3-4-9-17(16)22-18(23-19)14-6-5-7-15(12-14)25-2/h3-9,12H,10-11H2,1-2H3,(H,20,24)(H,21,22,23)
InChIKeyGRCZXEWKEOSWQS-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.85
Rot. Bonds6

About N-[2-[[2-(3-methoxyphenyl)quinazolin-4-yl]amino]ethyl]acetamide

N-[2-[[2-(3-methoxyphenyl)quinazolin-4-yl]amino]ethyl]acetamide (PubChem CID 3232866) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-[2-[[2-(3-methoxyphenyl)quinazolin-4-yl]amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[2-(3-methoxyphenyl)quinazolin-4-yl]amino]ethyl]acetamide
PubChem CID3232866
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC NameN-[2-[[2-(3-methoxyphenyl)quinazolin-4-yl]amino]ethyl]acetamide
SMILESCOc1cccc(-c2nc(NCCNC(C)=O)c3ccccc3n2)c1
InChIInChI=1S/C19H20N4O2/c1-13(24)20-10-11-21-19-16-8-3-4-9-17(16)22-18(23-19)14-6-5-7-15(12-14)25-2/h3-9,12H,10-11H2,1-2H3,(H,20,24)(H,21,22,23)
InChIKeyGRCZXEWKEOSWQS-UHFFFAOYSA-N
XLogP2.85
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(3-methoxyphenyl)quinazolin-4-yl]amino]ethyl]acetamide?
The IUPAC name of N-[2-[[2-(3-methoxyphenyl)quinazolin-4-yl]amino]ethyl]acetamide (CID 3232866) is N-[2-[[2-(3-methoxyphenyl)quinazolin-4-yl]amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[2-(3-methoxyphenyl)quinazolin-4-yl]amino]ethyl]acetamide?
The canonical SMILES for N-[2-[[2-(3-methoxyphenyl)quinazolin-4-yl]amino]ethyl]acetamide is COc1cccc(-c2nc(NCCNC(C)=O)c3ccccc3n2)c1.
What is the InChIKey of N-[2-[[2-(3-methoxyphenyl)quinazolin-4-yl]amino]ethyl]acetamide?
The InChIKey is GRCZXEWKEOSWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-13(24)20-10-11-21-19-16-8-3-4-9-17(16)22-18(23-19)14-6-5-7-15(12-14)25-2/h3-9,12H,10-11H2,1-2H3,(H,20,24)(H,21,22,23).
What are the key properties of N-[2-[[2-(3-methoxyphenyl)quinazolin-4-yl]amino]ethyl]acetamide?
N-[2-[[2-(3-methoxyphenyl)quinazolin-4-yl]amino]ethyl]acetamide has a molecular weight of 336.40 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(3-methoxyphenyl)quinazolin-4-yl]amino]ethyl]acetamide is sourced from PubChem (CID 3232866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).