9-[5-[4-(4-fluoro-3-methylanilino)-7-methoxyquinazolin-6-yl]-2,3-dihydrofuran-2-yl]-N-hydroxynon-8-ynamide

C29H31FN4O4 — CID 143645938

IUPAC9-[5-[4-(4-fluoro-3-methylanilino)-7-methoxyquinazolin-6-yl]-2,3-dihydrofuran-2-yl]-N-hydroxynon-8-ynamide
SMILESCOc1cc2ncnc(Nc3ccc(F)c(C)c3)c2cc1C1=CCC(C#CCCCCCCC(=O)NO)O1
InChIInChI=1S/C29H31FN4O4/c1-19-15-20(11-13-24(19)30)33-29-22-16-23(27(37-2)17-25(22)31-18-32-29)26-14-12-21(38-26)9-7-5-3-4-6-8-10-28(35)34-36/h11,13-18,21,36H,3-6,8,10,12H2,1-2H3,(H,34,35)(H,31,32,33)
InChIKeyLZMQVLYUNLWZTA-UHFFFAOYSA-N
MW518.59 g/mol
LogP5.81
Rot. Bonds10

About 9-[5-[4-(4-fluoro-3-methylanilino)-7-methoxyquinazolin-6-yl]-2,3-dihydrofuran-2-yl]-N-hydroxynon-8-ynamide

9-[5-[4-(4-fluoro-3-methylanilino)-7-methoxyquinazolin-6-yl]-2,3-dihydrofuran-2-yl]-N-hydroxynon-8-ynamide (PubChem CID 143645938) has the molecular formula C29H31FN4O4 and a molecular weight of 518.59 g/mol. Its IUPAC name is 9-[5-[4-(4-fluoro-3-methylanilino)-7-methoxyquinazolin-6-yl]-2,3-dihydrofuran-2-yl]-N-hydroxynon-8-ynamide.

Molecular Properties

Compound Name9-[5-[4-(4-fluoro-3-methylanilino)-7-methoxyquinazolin-6-yl]-2,3-dihydrofuran-2-yl]-N-hydroxynon-8-ynamide
PubChem CID143645938
Molecular FormulaC29H31FN4O4
Molecular Weight518.59 g/mol
Exact Mass518.23
IUPAC Name9-[5-[4-(4-fluoro-3-methylanilino)-7-methoxyquinazolin-6-yl]-2,3-dihydrofuran-2-yl]-N-hydroxynon-8-ynamide
SMILESCOc1cc2ncnc(Nc3ccc(F)c(C)c3)c2cc1C1=CCC(C#CCCCCCCC(=O)NO)O1
InChIInChI=1S/C29H31FN4O4/c1-19-15-20(11-13-24(19)30)33-29-22-16-23(27(37-2)17-25(22)31-18-32-29)26-14-12-21(38-26)9-7-5-3-4-6-8-10-28(35)34-36/h11,13-18,21,36H,3-6,8,10,12H2,1-2H3,(H,34,35)(H,31,32,33)
InChIKeyLZMQVLYUNLWZTA-UHFFFAOYSA-N
XLogP5.81
TPSA105.60 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.59
LogP ≤ 55.81
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'}

Analyze 9-[5-[4-(4-fluoro-3-methylanilino)-7-methoxyquinazolin-6-yl]-2,3-dihydrofuran-2-yl]-N-hydroxynon-8-ynamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-[5-[4-(4-fluoro-3-methylanilino)-7-methoxyquinazolin-6-yl]furan-2-yl]-N-hydroxynon-8-ynamide
CID 143645793
9-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]-N-hydroxy-8-oxononanamide
CID 58172578
6-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]sulfanyl-N-hydroxyhexanamide
CID 24944764
4-(4-fluoro-3-methylanilino)-6-methoxyquinazolin-7-ol
CID 137185960
9-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]-1-hydroxynon-8-yn-2-one
CID 58172604
4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxysulfanyl-N-hydroxybutanamide
CID 143645931
6-(3-aminopropoxy)-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine
CID 156814297
N-(4-fluoro-3-methylphenyl)-7-methoxy-6-(2-methylpropoxy)quinazolin-4-amine
CID 165053338
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
5-[4-(3-chloroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxypentanamide
CID 122195527
7-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-1-(oxiran-2-yl)heptan-1-one
CID 42597705

Frequently Asked Questions

What is the IUPAC name of 9-[5-[4-(4-fluoro-3-methylanilino)-7-methoxyquinazolin-6-yl]-2,3-dihydrofuran-2-yl]-N-hydroxynon-8-ynamide?
The IUPAC name of 9-[5-[4-(4-fluoro-3-methylanilino)-7-methoxyquinazolin-6-yl]-2,3-dihydrofuran-2-yl]-N-hydroxynon-8-ynamide (CID 143645938) is 9-[5-[4-(4-fluoro-3-methylanilino)-7-methoxyquinazolin-6-yl]-2,3-dihydrofuran-2-yl]-N-hydroxynon-8-ynamide.
What is the SMILES notation for 9-[5-[4-(4-fluoro-3-methylanilino)-7-methoxyquinazolin-6-yl]-2,3-dihydrofuran-2-yl]-N-hydroxynon-8-ynamide?
The canonical SMILES for 9-[5-[4-(4-fluoro-3-methylanilino)-7-methoxyquinazolin-6-yl]-2,3-dihydrofuran-2-yl]-N-hydroxynon-8-ynamide is COc1cc2ncnc(Nc3ccc(F)c(C)c3)c2cc1C1=CCC(C#CCCCCCCC(=O)NO)O1.
What is the InChIKey of 9-[5-[4-(4-fluoro-3-methylanilino)-7-methoxyquinazolin-6-yl]-2,3-dihydrofuran-2-yl]-N-hydroxynon-8-ynamide?
The InChIKey is LZMQVLYUNLWZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31FN4O4/c1-19-15-20(11-13-24(19)30)33-29-22-16-23(27(37-2)17-25(22)31-18-32-29)26-14-12-21(38-26)9-7-5-3-4-6-8-10-28(35)34-36/h11,13-18,21,36H,3-6,8,10,12H2,1-2H3,(H,34,35)(H,31,32,33).
What are the key properties of 9-[5-[4-(4-fluoro-3-methylanilino)-7-methoxyquinazolin-6-yl]-2,3-dihydrofuran-2-yl]-N-hydroxynon-8-ynamide?
9-[5-[4-(4-fluoro-3-methylanilino)-7-methoxyquinazolin-6-yl]-2,3-dihydrofuran-2-yl]-N-hydroxynon-8-ynamide has a molecular weight of 518.59 g/mol, XLogP of 5.81, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[5-[4-(4-fluoro-3-methylanilino)-7-methoxyquinazolin-6-yl]-2,3-dihydrofuran-2-yl]-N-hydroxynon-8-ynamide is sourced from PubChem (CID 143645938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).