7-[4-[2-fluoro-4-methyl-3-(2-methylprop-1-enyl)anilino]-6-methoxyquinazolin-7-yl]oxyheptanamide

C27H33FN4O3 — CID 143778160

IUPAC7-[4-[2-fluoro-4-methyl-3-(2-methylprop-1-enyl)anilino]-6-methoxyquinazolin-7-yl]oxyheptanamide
SMILESCOc1cc2c(Nc3ccc(C)c(C=C(C)C)c3F)ncnc2cc1OCCCCCCC(N)=O
InChIInChI=1S/C27H33FN4O3/c1-17(2)13-19-18(3)10-11-21(26(19)28)32-27-20-14-23(34-4)24(15-22(20)30-16-31-27)35-12-8-6-5-7-9-25(29)33/h10-11,13-16H,5-9,12H2,1-4H3,(H2,29,33)(H,30,31,32)
InChIKeyRZESKYQXNUUGLT-UHFFFAOYSA-N
MW480.58 g/mol
LogP6.07
Rot. Bonds12

About 7-[4-[2-fluoro-4-methyl-3-(2-methylprop-1-enyl)anilino]-6-methoxyquinazolin-7-yl]oxyheptanamide

7-[4-[2-fluoro-4-methyl-3-(2-methylprop-1-enyl)anilino]-6-methoxyquinazolin-7-yl]oxyheptanamide (PubChem CID 143778160) has the molecular formula C27H33FN4O3 and a molecular weight of 480.58 g/mol. Its IUPAC name is 7-[4-[2-fluoro-4-methyl-3-(2-methylprop-1-enyl)anilino]-6-methoxyquinazolin-7-yl]oxyheptanamide.

Molecular Properties

Compound Name7-[4-[2-fluoro-4-methyl-3-(2-methylprop-1-enyl)anilino]-6-methoxyquinazolin-7-yl]oxyheptanamide
PubChem CID143778160
Molecular FormulaC27H33FN4O3
Molecular Weight480.58 g/mol
Exact Mass480.25
IUPAC Name7-[4-[2-fluoro-4-methyl-3-(2-methylprop-1-enyl)anilino]-6-methoxyquinazolin-7-yl]oxyheptanamide
SMILESCOc1cc2c(Nc3ccc(C)c(C=C(C)C)c3F)ncnc2cc1OCCCCCCC(N)=O
InChIInChI=1S/C27H33FN4O3/c1-17(2)13-19-18(3)10-11-21(26(19)28)32-27-20-14-23(34-4)24(15-22(20)30-16-31-27)35-12-8-6-5-7-9-25(29)33/h10-11,13-16H,5-9,12H2,1-4H3,(H2,29,33)(H,30,31,32)
InChIKeyRZESKYQXNUUGLT-UHFFFAOYSA-N
XLogP6.07
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.58
LogP ≤ 56.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 7-[4-[2-fluoro-4-methyl-3-(2-methylprop-1-enyl)anilino]-6-methoxyquinazolin-7-yl]oxyheptanamide 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

5-[4-(4-bromo-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxypentanamide;ethane
CID 145016655
3-[4-(2-fluoro-4-methylanilino)-6-methoxyquinazolin-7-yl]oxypropanamide
CID 130310905
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
4-[4-(3-chloro-2,4-difluoroanilino)-7-methoxyquinazolin-6-yl]oxy-2-methylidenebutanamide
CID 68625101
ethyl 4-[4-(4-chloro-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxybutanoate
CID 22478301
methyl 6-[2-[(6-acetyloxy-7-methoxyquinazolin-4-yl)amino]-4-chlorophenoxy]hexanoate
CID 141424493
7-[4-(3-chloro-4-fluoroanilino)-6-methoxyquinazolin-7-yl]oxy-1-hydroxyheptan-2-one
CID 58172592
N-(4-chloro-2-fluorophenyl)-7-(3-chloropropoxy)-6-methoxyquinazolin-4-amine
CID 10982156
ethyl 7-[4-(4-benzoylanilino)-7-methoxyquinazolin-6-yl]oxyheptanoate
CID 141401410
ethyl 6-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]-7-phenylmethoxyquinazolin-6-yl]oxyhexanoate
CID 68676379
8-[[(Z)-1-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxybut-2-en-2-yl]amino]-9-methyldec-8-enamide
CID 143782898

Frequently Asked Questions

What is the IUPAC name of 7-[4-[2-fluoro-4-methyl-3-(2-methylprop-1-enyl)anilino]-6-methoxyquinazolin-7-yl]oxyheptanamide?
The IUPAC name of 7-[4-[2-fluoro-4-methyl-3-(2-methylprop-1-enyl)anilino]-6-methoxyquinazolin-7-yl]oxyheptanamide (CID 143778160) is 7-[4-[2-fluoro-4-methyl-3-(2-methylprop-1-enyl)anilino]-6-methoxyquinazolin-7-yl]oxyheptanamide.
What is the SMILES notation for 7-[4-[2-fluoro-4-methyl-3-(2-methylprop-1-enyl)anilino]-6-methoxyquinazolin-7-yl]oxyheptanamide?
The canonical SMILES for 7-[4-[2-fluoro-4-methyl-3-(2-methylprop-1-enyl)anilino]-6-methoxyquinazolin-7-yl]oxyheptanamide is COc1cc2c(Nc3ccc(C)c(C=C(C)C)c3F)ncnc2cc1OCCCCCCC(N)=O.
What is the InChIKey of 7-[4-[2-fluoro-4-methyl-3-(2-methylprop-1-enyl)anilino]-6-methoxyquinazolin-7-yl]oxyheptanamide?
The InChIKey is RZESKYQXNUUGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33FN4O3/c1-17(2)13-19-18(3)10-11-21(26(19)28)32-27-20-14-23(34-4)24(15-22(20)30-16-31-27)35-12-8-6-5-7-9-25(29)33/h10-11,13-16H,5-9,12H2,1-4H3,(H2,29,33)(H,30,31,32).
What are the key properties of 7-[4-[2-fluoro-4-methyl-3-(2-methylprop-1-enyl)anilino]-6-methoxyquinazolin-7-yl]oxyheptanamide?
7-[4-[2-fluoro-4-methyl-3-(2-methylprop-1-enyl)anilino]-6-methoxyquinazolin-7-yl]oxyheptanamide has a molecular weight of 480.58 g/mol, XLogP of 6.07, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[2-fluoro-4-methyl-3-(2-methylprop-1-enyl)anilino]-6-methoxyquinazolin-7-yl]oxyheptanamide is sourced from PubChem (CID 143778160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).