5-(3-chlorophenyl)-8-fluoroquinazolin-4-amine;prop-1-ene

C17H15ClFN3 — CID 142278551

IUPAC5-(3-chlorophenyl)-8-fluoroquinazolin-4-amine;prop-1-ene
SMILESC=CC.Nc1ncnc2c(F)ccc(-c3cccc(Cl)c3)c12
InChIInChI=1S/C14H9ClFN3.C3H6/c15-9-3-1-2-8(6-9)10-4-5-11(16)13-12(10)14(17)19-7-18-13;1-3-2/h1-7H,(H2,17,18,19);3H,1H2,2H3
InChIKeyFQBRUJBJPDTYIG-UHFFFAOYSA-N
MW315.78 g/mol
LogP4.86
Rot. Bonds1

About 5-(3-chlorophenyl)-8-fluoroquinazolin-4-amine;prop-1-ene

5-(3-chlorophenyl)-8-fluoroquinazolin-4-amine;prop-1-ene (PubChem CID 142278551) has the molecular formula C17H15ClFN3 and a molecular weight of 315.78 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-8-fluoroquinazolin-4-amine;prop-1-ene.

Molecular Properties

Compound Name5-(3-chlorophenyl)-8-fluoroquinazolin-4-amine;prop-1-ene
PubChem CID142278551
Molecular FormulaC17H15ClFN3
Molecular Weight315.78 g/mol
Exact Mass315.09
IUPAC Name5-(3-chlorophenyl)-8-fluoroquinazolin-4-amine;prop-1-ene
SMILESC=CC.Nc1ncnc2c(F)ccc(-c3cccc(Cl)c3)c12
InChIInChI=1S/C14H9ClFN3.C3H6/c15-9-3-1-2-8(6-9)10-4-5-11(16)13-12(10)14(17)19-7-18-13;1-3-2/h1-7H,(H2,17,18,19);3H,1H2,2H3
InChIKeyFQBRUJBJPDTYIG-UHFFFAOYSA-N
XLogP4.86
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.78
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(3-chloro-4-fluorophenyl)-8-fluoroquinazolin-4-amine;prop-2-enoic acid
CID 142278549
5-(3,4-dichlorophenyl)-8-fluoroquinazolin-4-amine;1-ethenylcyclopropane-1-carbaldehyde
CID 142278653
2-cyanobut-3-enoic acid;5-(3,4-dichlorophenyl)-8-fluoroquinazolin-4-amine
CID 142278540
3-(3-chlorophenyl)-2,6-difluoroaniline
CID 165455763
5-(3-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 18792935
4-(3-chlorophenyl)-3-fluoroaniline
CID 65435411
5-(3-chlorophenyl)-2-fluoro-4-methylaniline
CID 168928680
4-chloro-8-fluoro-5-methylquinazoline
CID 104782222
4-(3-chlorophenyl)-3-fluorophenol
CID 53219360
5-(3-chloro-4-fluorophenyl)-8-fluoro-4-piperidin-1-ylquinazoline
CID 134220296
2-(3-chlorophenyl)-4,5-difluorobenzaldehyde
CID 172909463
5-(3-chlorophenyl)-N,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 166634270

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-8-fluoroquinazolin-4-amine;prop-1-ene?
The IUPAC name of 5-(3-chlorophenyl)-8-fluoroquinazolin-4-amine;prop-1-ene (CID 142278551) is 5-(3-chlorophenyl)-8-fluoroquinazolin-4-amine;prop-1-ene.
What is the SMILES notation for 5-(3-chlorophenyl)-8-fluoroquinazolin-4-amine;prop-1-ene?
The canonical SMILES for 5-(3-chlorophenyl)-8-fluoroquinazolin-4-amine;prop-1-ene is C=CC.Nc1ncnc2c(F)ccc(-c3cccc(Cl)c3)c12.
What is the InChIKey of 5-(3-chlorophenyl)-8-fluoroquinazolin-4-amine;prop-1-ene?
The InChIKey is FQBRUJBJPDTYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFN3.C3H6/c15-9-3-1-2-8(6-9)10-4-5-11(16)13-12(10)14(17)19-7-18-13;1-3-2/h1-7H,(H2,17,18,19);3H,1H2,2H3.
What are the key properties of 5-(3-chlorophenyl)-8-fluoroquinazolin-4-amine;prop-1-ene?
5-(3-chlorophenyl)-8-fluoroquinazolin-4-amine;prop-1-ene has a molecular weight of 315.78 g/mol, XLogP of 4.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-8-fluoroquinazolin-4-amine;prop-1-ene is sourced from PubChem (CID 142278551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).