N-[4-[(2-methylquinazolin-4-yl)amino]phenoxy]butanamide

C19H20N4O2 — CID 159778120

IUPACN-[4-[(2-methylquinazolin-4-yl)amino]phenoxy]butanamide
SMILESCCCC(=O)NOc1ccc(Nc2nc(C)nc3ccccc23)cc1
InChIInChI=1S/C19H20N4O2/c1-3-6-18(24)23-25-15-11-9-14(10-12-15)22-19-16-7-4-5-8-17(16)20-13(2)21-19/h4-5,7-12H,3,6H2,1-2H3,(H,23,24)(H,20,21,22)
InChIKeyNGZVXXVBZVGCND-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.89
Rot. Bonds6

About N-[4-[(2-methylquinazolin-4-yl)amino]phenoxy]butanamide

N-[4-[(2-methylquinazolin-4-yl)amino]phenoxy]butanamide (PubChem CID 159778120) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-[4-[(2-methylquinazolin-4-yl)amino]phenoxy]butanamide.

Molecular Properties

Compound NameN-[4-[(2-methylquinazolin-4-yl)amino]phenoxy]butanamide
PubChem CID159778120
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC NameN-[4-[(2-methylquinazolin-4-yl)amino]phenoxy]butanamide
SMILESCCCC(=O)NOc1ccc(Nc2nc(C)nc3ccccc23)cc1
InChIInChI=1S/C19H20N4O2/c1-3-6-18(24)23-25-15-11-9-14(10-12-15)22-19-16-7-4-5-8-17(16)20-13(2)21-19/h4-5,7-12H,3,6H2,1-2H3,(H,23,24)(H,20,21,22)
InChIKeyNGZVXXVBZVGCND-UHFFFAOYSA-N
XLogP3.89
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 ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-methylquinazolin-4-yl)amino]phenoxy]butanamide?
The IUPAC name of N-[4-[(2-methylquinazolin-4-yl)amino]phenoxy]butanamide (CID 159778120) is N-[4-[(2-methylquinazolin-4-yl)amino]phenoxy]butanamide.
What is the SMILES notation for N-[4-[(2-methylquinazolin-4-yl)amino]phenoxy]butanamide?
The canonical SMILES for N-[4-[(2-methylquinazolin-4-yl)amino]phenoxy]butanamide is CCCC(=O)NOc1ccc(Nc2nc(C)nc3ccccc23)cc1.
What is the InChIKey of N-[4-[(2-methylquinazolin-4-yl)amino]phenoxy]butanamide?
The InChIKey is NGZVXXVBZVGCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-3-6-18(24)23-25-15-11-9-14(10-12-15)22-19-16-7-4-5-8-17(16)20-13(2)21-19/h4-5,7-12H,3,6H2,1-2H3,(H,23,24)(H,20,21,22).
What are the key properties of N-[4-[(2-methylquinazolin-4-yl)amino]phenoxy]butanamide?
N-[4-[(2-methylquinazolin-4-yl)amino]phenoxy]butanamide has a molecular weight of 336.40 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-methylquinazolin-4-yl)amino]phenoxy]butanamide is sourced from PubChem (CID 159778120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).