ethyl 4-[(6-fluoroquinazolin-4-yl)amino]pentanoate

C15H18FN3O2 — CID 133407132

IUPACethyl 4-[(6-fluoroquinazolin-4-yl)amino]pentanoate
SMILESCCOC(=O)CCC(C)Nc1ncnc2ccc(F)cc12
InChIInChI=1S/C15H18FN3O2/c1-3-21-14(20)7-4-10(2)19-15-12-8-11(16)5-6-13(12)17-9-18-15/h5-6,8-10H,3-4,7H2,1-2H3,(H,17,18,19)
InChIKeyZKBFUUUHGFVUMF-UHFFFAOYSA-N
MW291.33 g/mol
LogP2.91
Rot. Bonds6

About ethyl 4-[(6-fluoroquinazolin-4-yl)amino]pentanoate

ethyl 4-[(6-fluoroquinazolin-4-yl)amino]pentanoate (PubChem CID 133407132) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is ethyl 4-[(6-fluoroquinazolin-4-yl)amino]pentanoate.

Molecular Properties

Compound Nameethyl 4-[(6-fluoroquinazolin-4-yl)amino]pentanoate
PubChem CID133407132
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC Nameethyl 4-[(6-fluoroquinazolin-4-yl)amino]pentanoate
SMILESCCOC(=O)CCC(C)Nc1ncnc2ccc(F)cc12
InChIInChI=1S/C15H18FN3O2/c1-3-21-14(20)7-4-10(2)19-15-12-8-11(16)5-6-13(12)17-9-18-15/h5-6,8-10H,3-4,7H2,1-2H3,(H,17,18,19)
InChIKeyZKBFUUUHGFVUMF-UHFFFAOYSA-N
XLogP2.91
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[(6-fluoroquinazolin-4-yl)amino]pentanoate 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

(2S)-2-[(6-fluoroquinazolin-4-yl)amino]propan-1-ol
CID 133428083
ethyl 4-[(7-fluoroquinolin-4-yl)amino]pentanoate
CID 133407100
6-fluoro-N-propan-2-ylquinazolin-4-amine
CID 71684168
ethyl 4-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)pentanoate
CID 133406905
ethyl 4-(7H-purin-6-ylamino)pentanoate
CID 133407098
methyl 3-[4-[(6-fluoroquinazolin-4-yl)amino]phenyl]-2-methylpropanoate
CID 133466647
ethyl 5-amino-5-(2,5-difluorophenyl)pentanoate
CID 60861649
(2S)-2-[(6-methylquinazolin-4-yl)amino]propan-1-ol
CID 133428082
ethyl 4-[(3-cyano-6-fluoro-8-methylquinolin-4-yl)amino]pentanoate
CID 133407065
ethyl 3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]butanoate
CID 133363399
ethyl 5-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]oxypentanoate
CID 66755406
ethyl 4-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-ylamino)pentanoate
CID 133407095

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(6-fluoroquinazolin-4-yl)amino]pentanoate?
The IUPAC name of ethyl 4-[(6-fluoroquinazolin-4-yl)amino]pentanoate (CID 133407132) is ethyl 4-[(6-fluoroquinazolin-4-yl)amino]pentanoate.
What is the SMILES notation for ethyl 4-[(6-fluoroquinazolin-4-yl)amino]pentanoate?
The canonical SMILES for ethyl 4-[(6-fluoroquinazolin-4-yl)amino]pentanoate is CCOC(=O)CCC(C)Nc1ncnc2ccc(F)cc12.
What is the InChIKey of ethyl 4-[(6-fluoroquinazolin-4-yl)amino]pentanoate?
The InChIKey is ZKBFUUUHGFVUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2/c1-3-21-14(20)7-4-10(2)19-15-12-8-11(16)5-6-13(12)17-9-18-15/h5-6,8-10H,3-4,7H2,1-2H3,(H,17,18,19).
What are the key properties of ethyl 4-[(6-fluoroquinazolin-4-yl)amino]pentanoate?
ethyl 4-[(6-fluoroquinazolin-4-yl)amino]pentanoate has a molecular weight of 291.33 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(6-fluoroquinazolin-4-yl)amino]pentanoate is sourced from PubChem (CID 133407132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).