N-(4-chloro-2-fluorophenyl)-6-methoxy-7-(3-pyridin-4-ylprop-2-enoxy)quinazolin-2-amine

C23H18ClFN4O2 — CID 91546336

IUPACN-(4-chloro-2-fluorophenyl)-6-methoxy-7-(3-pyridin-4-ylprop-2-enoxy)quinazolin-2-amine
SMILESCOc1cc2cnc(Nc3ccc(Cl)cc3F)nc2cc1OCC=Cc1ccncc1
InChIInChI=1S/C23H18ClFN4O2/c1-30-21-11-16-14-27-23(28-19-5-4-17(24)12-18(19)25)29-20(16)13-22(21)31-10-2-3-15-6-8-26-9-7-15/h2-9,11-14H,10H2,1H3,(H,27,28,29)
InChIKeyLWHXATNFTXXPCM-UHFFFAOYSA-N
MW436.87 g/mol
LogP5.66
Rot. Bonds7

About N-(4-chloro-2-fluorophenyl)-6-methoxy-7-(3-pyridin-4-ylprop-2-enoxy)quinazolin-2-amine

N-(4-chloro-2-fluorophenyl)-6-methoxy-7-(3-pyridin-4-ylprop-2-enoxy)quinazolin-2-amine (PubChem CID 91546336) has the molecular formula C23H18ClFN4O2 and a molecular weight of 436.87 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-6-methoxy-7-(3-pyridin-4-ylprop-2-enoxy)quinazolin-2-amine.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-6-methoxy-7-(3-pyridin-4-ylprop-2-enoxy)quinazolin-2-amine
PubChem CID91546336
Molecular FormulaC23H18ClFN4O2
Molecular Weight436.87 g/mol
Exact Mass436.11
IUPAC NameN-(4-chloro-2-fluorophenyl)-6-methoxy-7-(3-pyridin-4-ylprop-2-enoxy)quinazolin-2-amine
SMILESCOc1cc2cnc(Nc3ccc(Cl)cc3F)nc2cc1OCC=Cc1ccncc1
InChIInChI=1S/C23H18ClFN4O2/c1-30-21-11-16-14-27-23(28-19-5-4-17(24)12-18(19)25)29-20(16)13-22(21)31-10-2-3-15-6-8-26-9-7-15/h2-9,11-14H,10H2,1H3,(H,27,28,29)
InChIKeyLWHXATNFTXXPCM-UHFFFAOYSA-N
XLogP5.66
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.87
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-6-methoxy-7-(3-pyridin-4-ylprop-2-enoxy)quinazolin-2-amine?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-6-methoxy-7-(3-pyridin-4-ylprop-2-enoxy)quinazolin-2-amine (CID 91546336) is N-(4-chloro-2-fluorophenyl)-6-methoxy-7-(3-pyridin-4-ylprop-2-enoxy)quinazolin-2-amine.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-6-methoxy-7-(3-pyridin-4-ylprop-2-enoxy)quinazolin-2-amine?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-6-methoxy-7-(3-pyridin-4-ylprop-2-enoxy)quinazolin-2-amine is COc1cc2cnc(Nc3ccc(Cl)cc3F)nc2cc1OCC=Cc1ccncc1.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-6-methoxy-7-(3-pyridin-4-ylprop-2-enoxy)quinazolin-2-amine?
The InChIKey is LWHXATNFTXXPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClFN4O2/c1-30-21-11-16-14-27-23(28-19-5-4-17(24)12-18(19)25)29-20(16)13-22(21)31-10-2-3-15-6-8-26-9-7-15/h2-9,11-14H,10H2,1H3,(H,27,28,29).
What are the key properties of N-(4-chloro-2-fluorophenyl)-6-methoxy-7-(3-pyridin-4-ylprop-2-enoxy)quinazolin-2-amine?
N-(4-chloro-2-fluorophenyl)-6-methoxy-7-(3-pyridin-4-ylprop-2-enoxy)quinazolin-2-amine has a molecular weight of 436.87 g/mol, XLogP of 5.66, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-6-methoxy-7-(3-pyridin-4-ylprop-2-enoxy)quinazolin-2-amine is sourced from PubChem (CID 91546336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).