N-hydroxy-6-[5-[7-methoxy-4-(2-phenylethylamino)quinazolin-6-yl]furan-2-yl]hex-5-ynamide

C27H26N4O4 — CID 87720835

IUPACN-hydroxy-6-[5-[7-methoxy-4-(2-phenylethylamino)quinazolin-6-yl]furan-2-yl]hex-5-ynamide
SMILESCOc1cc2ncnc(NCCc3ccccc3)c2cc1-c1ccc(C#CCCCC(=O)NO)o1
InChIInChI=1S/C27H26N4O4/c1-34-25-17-23-21(27(30-18-29-23)28-15-14-19-8-4-2-5-9-19)16-22(25)24-13-12-20(35-24)10-6-3-7-11-26(32)31-33/h2,4-5,8-9,12-13,16-18,33H,3,7,11,14-15H2,1H3,(H,31,32)(H,28,29,30)
InChIKeyZZZQXQLPCCACGE-UHFFFAOYSA-N
MW470.53 g/mol
LogP4.58
Rot. Bonds9

About N-hydroxy-6-[5-[7-methoxy-4-(2-phenylethylamino)quinazolin-6-yl]furan-2-yl]hex-5-ynamide

N-hydroxy-6-[5-[7-methoxy-4-(2-phenylethylamino)quinazolin-6-yl]furan-2-yl]hex-5-ynamide (PubChem CID 87720835) has the molecular formula C27H26N4O4 and a molecular weight of 470.53 g/mol. Its IUPAC name is N-hydroxy-6-[5-[7-methoxy-4-(2-phenylethylamino)quinazolin-6-yl]furan-2-yl]hex-5-ynamide.

Molecular Properties

Compound NameN-hydroxy-6-[5-[7-methoxy-4-(2-phenylethylamino)quinazolin-6-yl]furan-2-yl]hex-5-ynamide
PubChem CID87720835
Molecular FormulaC27H26N4O4
Molecular Weight470.53 g/mol
Exact Mass470.20
IUPAC NameN-hydroxy-6-[5-[7-methoxy-4-(2-phenylethylamino)quinazolin-6-yl]furan-2-yl]hex-5-ynamide
SMILESCOc1cc2ncnc(NCCc3ccccc3)c2cc1-c1ccc(C#CCCCC(=O)NO)o1
InChIInChI=1S/C27H26N4O4/c1-34-25-17-23-21(27(30-18-29-23)28-15-14-19-8-4-2-5-9-19)16-22(25)24-13-12-20(35-24)10-6-3-7-11-26(32)31-33/h2,4-5,8-9,12-13,16-18,33H,3,7,11,14-15H2,1H3,(H,31,32)(H,28,29,30)
InChIKeyZZZQXQLPCCACGE-UHFFFAOYSA-N
XLogP4.58
TPSA109.51 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 54.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-hydroxy-6-[5-[7-methoxy-4-(1-phenylethylamino)quinazolin-6-yl]furan-2-yl]hex-5-ynamide
CID 87744480
9-[5-[4-(4-fluoro-3-methylanilino)-7-methoxyquinazolin-6-yl]furan-2-yl]-N-hydroxynon-8-ynamide
CID 143645793
7-[7-methoxy-4-[2-(4-methoxyphenyl)ethylamino]quinazolin-6-yl]oxyheptanoic acid
CID 68728406
1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]pyrimidin-2-yl]-3-phenylurea
CID 59268828
9-[5-[4-(4-fluoro-3-methylanilino)-7-methoxyquinazolin-6-yl]-2,3-dihydrofuran-2-yl]-N-hydroxynon-8-ynamide
CID 143645938
7-[5-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxyfuran-2-yl]hept-6-yn-2-one
CID 143645824
5-[4-[4-(benzenesulfonyl)anilino]-7-methoxyquinazolin-6-yl]furan-2-carbaldehyde;hydrochloride
CID 87510001
8-[4-(benzylamino)-7-methoxyquinazolin-6-yl]oxy-1-hydroxyoctan-2-one
CID 58172505
6-[4-(2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxyhexanamide
CID 127028037
7-[4-(2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxyheptanamide
CID 127028038
6,7-dimethoxy-4-[2-[4-(sulfamoylamino)phenyl]ethylamino]quinazoline
CID 151000530
N-[4-(3-ethynylanilino)-7-methoxyquinazolin-6-yl]-N'-hydroxypentanediamide
CID 24945370

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-6-[5-[7-methoxy-4-(2-phenylethylamino)quinazolin-6-yl]furan-2-yl]hex-5-ynamide?
The IUPAC name of N-hydroxy-6-[5-[7-methoxy-4-(2-phenylethylamino)quinazolin-6-yl]furan-2-yl]hex-5-ynamide (CID 87720835) is N-hydroxy-6-[5-[7-methoxy-4-(2-phenylethylamino)quinazolin-6-yl]furan-2-yl]hex-5-ynamide.
What is the SMILES notation for N-hydroxy-6-[5-[7-methoxy-4-(2-phenylethylamino)quinazolin-6-yl]furan-2-yl]hex-5-ynamide?
The canonical SMILES for N-hydroxy-6-[5-[7-methoxy-4-(2-phenylethylamino)quinazolin-6-yl]furan-2-yl]hex-5-ynamide is COc1cc2ncnc(NCCc3ccccc3)c2cc1-c1ccc(C#CCCCC(=O)NO)o1.
What is the InChIKey of N-hydroxy-6-[5-[7-methoxy-4-(2-phenylethylamino)quinazolin-6-yl]furan-2-yl]hex-5-ynamide?
The InChIKey is ZZZQXQLPCCACGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O4/c1-34-25-17-23-21(27(30-18-29-23)28-15-14-19-8-4-2-5-9-19)16-22(25)24-13-12-20(35-24)10-6-3-7-11-26(32)31-33/h2,4-5,8-9,12-13,16-18,33H,3,7,11,14-15H2,1H3,(H,31,32)(H,28,29,30).
What are the key properties of N-hydroxy-6-[5-[7-methoxy-4-(2-phenylethylamino)quinazolin-6-yl]furan-2-yl]hex-5-ynamide?
N-hydroxy-6-[5-[7-methoxy-4-(2-phenylethylamino)quinazolin-6-yl]furan-2-yl]hex-5-ynamide has a molecular weight of 470.53 g/mol, XLogP of 4.58, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-6-[5-[7-methoxy-4-(2-phenylethylamino)quinazolin-6-yl]furan-2-yl]hex-5-ynamide is sourced from PubChem (CID 87720835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).