3-[4-(3-ethynylanilino)quinazolin-6-yl]oxy-N-hydroxypropanamide

C19H16N4O3 — CID 24945016

IUPAC3-[4-(3-ethynylanilino)quinazolin-6-yl]oxy-N-hydroxypropanamide
SMILESC#Cc1cccc(Nc2ncnc3ccc(OCCC(=O)NO)cc23)c1
InChIInChI=1S/C19H16N4O3/c1-2-13-4-3-5-14(10-13)22-19-16-11-15(26-9-8-18(24)23-25)6-7-17(16)20-12-21-19/h1,3-7,10-12,25H,8-9H2,(H,23,24)(H,20,21,22)
InChIKeyVPZVDMXTKVKPNF-UHFFFAOYSA-N
MW348.36 g/mol
LogP2.63
Rot. Bonds6

About 3-[4-(3-ethynylanilino)quinazolin-6-yl]oxy-N-hydroxypropanamide

3-[4-(3-ethynylanilino)quinazolin-6-yl]oxy-N-hydroxypropanamide (PubChem CID 24945016) has the molecular formula C19H16N4O3 and a molecular weight of 348.36 g/mol. Its IUPAC name is 3-[4-(3-ethynylanilino)quinazolin-6-yl]oxy-N-hydroxypropanamide.

Molecular Properties

Compound Name3-[4-(3-ethynylanilino)quinazolin-6-yl]oxy-N-hydroxypropanamide
PubChem CID24945016
Molecular FormulaC19H16N4O3
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC Name3-[4-(3-ethynylanilino)quinazolin-6-yl]oxy-N-hydroxypropanamide
SMILESC#Cc1cccc(Nc2ncnc3ccc(OCCC(=O)NO)cc23)c1
InChIInChI=1S/C19H16N4O3/c1-2-13-4-3-5-14(10-13)22-19-16-11-15(26-9-8-18(24)23-25)6-7-17(16)20-12-21-19/h1,3-7,10-12,25H,8-9H2,(H,23,24)(H,20,21,22)
InChIKeyVPZVDMXTKVKPNF-UHFFFAOYSA-N
XLogP2.63
TPSA96.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethynylphenyl)-6-methoxyquinazolin-4-amine;hydrochloride
CID 18925055
N-[4-(3-ethynylanilino)-7-methoxyquinazolin-6-yl]-N'-hydroxypentanediamide
CID 24945370
methyl 4-(3-ethynylanilino)quinazoline-6-carboxylate;hydrochloride
CID 18925071
2-[7-(carboxymethyl)-4-(3-ethynylanilino)quinazolin-6-yl]acetic acid
CID 87085203
2,3-dihydroxybutanedioic acid;7-[4-(3-ethynylanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxyheptanamide
CID 25225113
6-(1H-benzimidazol-2-ylmethoxy)-N-(3-ethynylphenyl)quinazolin-4-amine
CID 143645591
1-[4-(3-ethynylanilino)quinazolin-6-yl]-3-(2-methoxyethyl)urea
CID 44600757
4-(3-ethynylanilino)quinazoline-6,7-diol
CID 135610917
N-(3-ethynylphenyl)-7-methoxyquinazolin-4-amine;2-hydroxyacetic acid
CID 175292977
6-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]oxy-N-hydroxyhexanamide
CID 24945114
N-(3-ethynylphenyl)-7-(2-methoxyethoxy)-6-(2-(111C)methoxyethoxy)quinazolin-4-amine
CID 44625620
N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine;silver
CID 175128959

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-ethynylanilino)quinazolin-6-yl]oxy-N-hydroxypropanamide?
The IUPAC name of 3-[4-(3-ethynylanilino)quinazolin-6-yl]oxy-N-hydroxypropanamide (CID 24945016) is 3-[4-(3-ethynylanilino)quinazolin-6-yl]oxy-N-hydroxypropanamide.
What is the SMILES notation for 3-[4-(3-ethynylanilino)quinazolin-6-yl]oxy-N-hydroxypropanamide?
The canonical SMILES for 3-[4-(3-ethynylanilino)quinazolin-6-yl]oxy-N-hydroxypropanamide is C#Cc1cccc(Nc2ncnc3ccc(OCCC(=O)NO)cc23)c1.
What is the InChIKey of 3-[4-(3-ethynylanilino)quinazolin-6-yl]oxy-N-hydroxypropanamide?
The InChIKey is VPZVDMXTKVKPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3/c1-2-13-4-3-5-14(10-13)22-19-16-11-15(26-9-8-18(24)23-25)6-7-17(16)20-12-21-19/h1,3-7,10-12,25H,8-9H2,(H,23,24)(H,20,21,22).
What are the key properties of 3-[4-(3-ethynylanilino)quinazolin-6-yl]oxy-N-hydroxypropanamide?
3-[4-(3-ethynylanilino)quinazolin-6-yl]oxy-N-hydroxypropanamide has a molecular weight of 348.36 g/mol, XLogP of 2.63, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-ethynylanilino)quinazolin-6-yl]oxy-N-hydroxypropanamide is sourced from PubChem (CID 24945016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).