5-fluoro-4-N-[4-fluoro-2-(oxolan-3-yloxy)phenyl]quinazoline-4,7-diamine

C18H16F2N4O2 — CID 129116287

IUPAC5-fluoro-4-N-[4-fluoro-2-(oxolan-3-yloxy)phenyl]quinazoline-4,7-diamine
SMILESNc1cc(F)c2c(Nc3ccc(F)cc3OC3CCOC3)ncnc2c1
InChIInChI=1S/C18H16F2N4O2/c19-10-1-2-14(16(5-10)26-12-3-4-25-8-12)24-18-17-13(20)6-11(21)7-15(17)22-9-23-18/h1-2,5-7,9,12H,3-4,8,21H2,(H,22,23,24)
InChIKeyMEZZWPNHZWNUAM-UHFFFAOYSA-N
MW358.35 g/mol
LogP3.40
Rot. Bonds4

About 5-fluoro-4-N-[4-fluoro-2-(oxolan-3-yloxy)phenyl]quinazoline-4,7-diamine

5-fluoro-4-N-[4-fluoro-2-(oxolan-3-yloxy)phenyl]quinazoline-4,7-diamine (PubChem CID 129116287) has the molecular formula C18H16F2N4O2 and a molecular weight of 358.35 g/mol. Its IUPAC name is 5-fluoro-4-N-[4-fluoro-2-(oxolan-3-yloxy)phenyl]quinazoline-4,7-diamine.

Molecular Properties

Compound Name5-fluoro-4-N-[4-fluoro-2-(oxolan-3-yloxy)phenyl]quinazoline-4,7-diamine
PubChem CID129116287
Molecular FormulaC18H16F2N4O2
Molecular Weight358.35 g/mol
Exact Mass358.12
IUPAC Name5-fluoro-4-N-[4-fluoro-2-(oxolan-3-yloxy)phenyl]quinazoline-4,7-diamine
SMILESNc1cc(F)c2c(Nc3ccc(F)cc3OC3CCOC3)ncnc2c1
InChIInChI=1S/C18H16F2N4O2/c19-10-1-2-14(16(5-10)26-12-3-4-25-8-12)24-18-17-13(20)6-11(21)7-15(17)22-9-23-18/h1-2,5-7,9,12H,3-4,8,21H2,(H,22,23,24)
InChIKeyMEZZWPNHZWNUAM-UHFFFAOYSA-N
XLogP3.40
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[(7-amino-5-fluoroquinazolin-4-yl)amino]-5-fluorophenoxy]cyclohexan-1-ol;methanethiol
CID 144622942
7-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-[4-fluoro-2-[(3S)-oxolan-3-yl]oxyphenyl]-5-methoxyquinazolin-4-amine
CID 90140639
N-[4-fluoro-2-[(3S)-oxolan-3-yl]oxyphenyl]-5-methyl-7-[(1-oxothiolan-1-ylidene)amino]quinazolin-4-amine
CID 90140541
7-[(tert-butyl-methyl-oxo-λ6-sulfanylidene)amino]-N-[4-fluoro-2-[(3S)-oxolan-3-yl]oxyphenyl]-5-methylquinazolin-4-amine
CID 90140698
N-[4-fluoro-2-(oxolan-3-yloxy)phenyl]-5-methyl-7-(methylideneamino)quinazolin-4-amine;formaldehyde;pentane
CID 144854884
7-N-(tert-butyl-methylidene-oxo-λ6-sulfanyl)-4-N-[4-fluoro-2-(oxolan-3-yloxy)phenyl]-5-methylquinazoline-4,7-diamine
CID 123438691
4-[2-[(7-amino-5-methylquinazolin-4-yl)amino]-5-fluorophenoxy]cyclohexan-1-ol;methanethiol
CID 144622962
4-N-[4-fluoro-2-(3-methoxycyclohexyl)oxyphenyl]-5-methylquinazoline-4,7-diamine
CID 129116341
4-N-(2-cyclohexyloxy-4-fluorophenyl)-5-methylquinazoline-4,7-diamine;methanethiol;methanol
CID 144623004
3-[2-[(7-amino-5-methylquinazolin-4-yl)amino]-5-fluorophenoxy]oxolan-2-one
CID 129117380
N-[4-fluoro-2-(oxolan-3-yloxy)phenyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 24765447
4-N-[4-fluoro-2-(1-methylsulfanylpyrrolidin-3-yl)oxyphenyl]-5-methylquinazoline-4,7-diamine
CID 144622975

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-N-[4-fluoro-2-(oxolan-3-yloxy)phenyl]quinazoline-4,7-diamine?
The IUPAC name of 5-fluoro-4-N-[4-fluoro-2-(oxolan-3-yloxy)phenyl]quinazoline-4,7-diamine (CID 129116287) is 5-fluoro-4-N-[4-fluoro-2-(oxolan-3-yloxy)phenyl]quinazoline-4,7-diamine.
What is the SMILES notation for 5-fluoro-4-N-[4-fluoro-2-(oxolan-3-yloxy)phenyl]quinazoline-4,7-diamine?
The canonical SMILES for 5-fluoro-4-N-[4-fluoro-2-(oxolan-3-yloxy)phenyl]quinazoline-4,7-diamine is Nc1cc(F)c2c(Nc3ccc(F)cc3OC3CCOC3)ncnc2c1.
What is the InChIKey of 5-fluoro-4-N-[4-fluoro-2-(oxolan-3-yloxy)phenyl]quinazoline-4,7-diamine?
The InChIKey is MEZZWPNHZWNUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4O2/c19-10-1-2-14(16(5-10)26-12-3-4-25-8-12)24-18-17-13(20)6-11(21)7-15(17)22-9-23-18/h1-2,5-7,9,12H,3-4,8,21H2,(H,22,23,24).
What are the key properties of 5-fluoro-4-N-[4-fluoro-2-(oxolan-3-yloxy)phenyl]quinazoline-4,7-diamine?
5-fluoro-4-N-[4-fluoro-2-(oxolan-3-yloxy)phenyl]quinazoline-4,7-diamine has a molecular weight of 358.35 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-N-[4-fluoro-2-(oxolan-3-yloxy)phenyl]quinazoline-4,7-diamine is sourced from PubChem (CID 129116287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).