5-[4-(cyclopropylamino)quinazolin-6-yl]-2-fluorobenzaldehyde

C18H14FN3O — CID 57435174

IUPAC5-[4-(cyclopropylamino)quinazolin-6-yl]-2-fluorobenzaldehyde
SMILESO=Cc1cc(-c2ccc3ncnc(NC4CC4)c3c2)ccc1F
InChIInChI=1S/C18H14FN3O/c19-16-5-1-11(7-13(16)9-23)12-2-6-17-15(8-12)18(21-10-20-17)22-14-3-4-14/h1-2,5-10,14H,3-4H2,(H,20,21,22)
InChIKeyZKQSFKOLHUFPDS-UHFFFAOYSA-N
MW307.33 g/mol
LogP3.82
Rot. Bonds4

About 5-[4-(cyclopropylamino)quinazolin-6-yl]-2-fluorobenzaldehyde

5-[4-(cyclopropylamino)quinazolin-6-yl]-2-fluorobenzaldehyde (PubChem CID 57435174) has the molecular formula C18H14FN3O and a molecular weight of 307.33 g/mol. Its IUPAC name is 5-[4-(cyclopropylamino)quinazolin-6-yl]-2-fluorobenzaldehyde.

Molecular Properties

Compound Name5-[4-(cyclopropylamino)quinazolin-6-yl]-2-fluorobenzaldehyde
PubChem CID57435174
Molecular FormulaC18H14FN3O
Molecular Weight307.33 g/mol
Exact Mass307.11
IUPAC Name5-[4-(cyclopropylamino)quinazolin-6-yl]-2-fluorobenzaldehyde
SMILESO=Cc1cc(-c2ccc3ncnc(NC4CC4)c3c2)ccc1F
InChIInChI=1S/C18H14FN3O/c19-16-5-1-11(7-13(16)9-23)12-2-6-17-15(8-12)18(21-10-20-17)22-14-3-4-14/h1-2,5-10,14H,3-4H2,(H,20,21,22)
InChIKeyZKQSFKOLHUFPDS-UHFFFAOYSA-N
XLogP3.82
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-3-(2-(methylamino)quinazolin-6-yl)-N-(3-(trifluoromethyl)phenyl)benzamide
CID 16086088
Aminoquinazoline amide, 35
CID 25138148
4-{[(1S)-1-(3-fluorophenyl)-2-(methylamino)ethyl]amino}quinazoline-8-carboxamide
CID 66763327
3-[2-(cyclopropylamino)quinazolin-6-yl]-4-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]benzamide
CID 16086078
N-(4-methyl-3-(2-(methylamino)quinazolin-6-yl)phenyl)-3-(trifluoromethyl)benzamide
CID 16086091
4-methyl-N-(2-methyl-3-4-methyl-N-(2-methyl-3-(2-(methylamino)quinazolin-6-yl)benzamide
CID 16086099
2-fluoro-4-methyl-5-(2-(methylamino)quinazolin-6-yl)-N-(3-(trifluoromethyl)phenyl)benzamide
CID 16086110
4-((S)-2-Amino-1-phenyl-ethylamino)-quinazoline-8-carboxylic acid amide
CID 46869309
4-[[(1S)-2-(dimethylamino)-1-phenylethyl]amino]quinazoline-8-carboxamide
CID 46869910
4-[[1-(3-Fluorophenyl)-2-(methylamino)ethyl]amino]quinazoline-8-carboxamide
CID 66762174
4-[(3,5-Difluorophenyl)methylamino]quinazoline-8-carboxamide
CID 66763104
4-[(2,4-Difluorophenyl)methylamino]quinazoline-8-carboxamide
CID 66763159

Frequently Asked Questions

What is the IUPAC name of 5-[4-(cyclopropylamino)quinazolin-6-yl]-2-fluorobenzaldehyde?
The IUPAC name of 5-[4-(cyclopropylamino)quinazolin-6-yl]-2-fluorobenzaldehyde (CID 57435174) is 5-[4-(cyclopropylamino)quinazolin-6-yl]-2-fluorobenzaldehyde.
What is the SMILES notation for 5-[4-(cyclopropylamino)quinazolin-6-yl]-2-fluorobenzaldehyde?
The canonical SMILES for 5-[4-(cyclopropylamino)quinazolin-6-yl]-2-fluorobenzaldehyde is O=Cc1cc(-c2ccc3ncnc(NC4CC4)c3c2)ccc1F.
What is the InChIKey of 5-[4-(cyclopropylamino)quinazolin-6-yl]-2-fluorobenzaldehyde?
The InChIKey is ZKQSFKOLHUFPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O/c19-16-5-1-11(7-13(16)9-23)12-2-6-17-15(8-12)18(21-10-20-17)22-14-3-4-14/h1-2,5-10,14H,3-4H2,(H,20,21,22).
What are the key properties of 5-[4-(cyclopropylamino)quinazolin-6-yl]-2-fluorobenzaldehyde?
5-[4-(cyclopropylamino)quinazolin-6-yl]-2-fluorobenzaldehyde has a molecular weight of 307.33 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(cyclopropylamino)quinazolin-6-yl]-2-fluorobenzaldehyde is sourced from PubChem (CID 57435174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).