N-(4-chloro-2-fluorophenyl)-6-methoxy-7-(2-pyridin-4-ylethoxy)quinazolin-4-amine

C22H18ClFN4O2 — CID 15886030

IUPACN-(4-chloro-2-fluorophenyl)-6-methoxy-7-(2-pyridin-4-ylethoxy)quinazolin-4-amine
SMILESCOc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCCc1ccncc1
InChIInChI=1S/C22H18ClFN4O2/c1-29-20-11-16-19(12-21(20)30-9-6-14-4-7-25-8-5-14)26-13-27-22(16)28-18-3-2-15(23)10-17(18)24/h2-5,7-8,10-13H,6,9H2,1H3,(H,26,27,28)
InChIKeyVHFMXQUBHSIGCQ-UHFFFAOYSA-N
MW424.86 g/mol
LogP5.19
Rot. Bonds7

About N-(4-chloro-2-fluorophenyl)-6-methoxy-7-(2-pyridin-4-ylethoxy)quinazolin-4-amine

N-(4-chloro-2-fluorophenyl)-6-methoxy-7-(2-pyridin-4-ylethoxy)quinazolin-4-amine (PubChem CID 15886030) has the molecular formula C22H18ClFN4O2 and a molecular weight of 424.86 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-6-methoxy-7-(2-pyridin-4-ylethoxy)quinazolin-4-amine.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-6-methoxy-7-(2-pyridin-4-ylethoxy)quinazolin-4-amine
PubChem CID15886030
Molecular FormulaC22H18ClFN4O2
Molecular Weight424.86 g/mol
Exact Mass424.11
IUPAC NameN-(4-chloro-2-fluorophenyl)-6-methoxy-7-(2-pyridin-4-ylethoxy)quinazolin-4-amine
SMILESCOc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCCc1ccncc1
InChIInChI=1S/C22H18ClFN4O2/c1-29-20-11-16-19(12-21(20)30-9-6-14-4-7-25-8-5-14)26-13-27-22(16)28-18-3-2-15(23)10-17(18)24/h2-5,7-8,10-13H,6,9H2,1H3,(H,26,27,28)
InChIKeyVHFMXQUBHSIGCQ-UHFFFAOYSA-N
XLogP5.19
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.86
LogP ≤ 55.19
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-(2-pyridin-4-ylethoxy)quinazolin-4-amine?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-6-methoxy-7-(2-pyridin-4-ylethoxy)quinazolin-4-amine (CID 15886030) is N-(4-chloro-2-fluorophenyl)-6-methoxy-7-(2-pyridin-4-ylethoxy)quinazolin-4-amine.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-6-methoxy-7-(2-pyridin-4-ylethoxy)quinazolin-4-amine?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-6-methoxy-7-(2-pyridin-4-ylethoxy)quinazolin-4-amine is COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCCc1ccncc1.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-6-methoxy-7-(2-pyridin-4-ylethoxy)quinazolin-4-amine?
The InChIKey is VHFMXQUBHSIGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClFN4O2/c1-29-20-11-16-19(12-21(20)30-9-6-14-4-7-25-8-5-14)26-13-27-22(16)28-18-3-2-15(23)10-17(18)24/h2-5,7-8,10-13H,6,9H2,1H3,(H,26,27,28).
What are the key properties of N-(4-chloro-2-fluorophenyl)-6-methoxy-7-(2-pyridin-4-ylethoxy)quinazolin-4-amine?
N-(4-chloro-2-fluorophenyl)-6-methoxy-7-(2-pyridin-4-ylethoxy)quinazolin-4-amine has a molecular weight of 424.86 g/mol, XLogP of 5.19, 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-(2-pyridin-4-ylethoxy)quinazolin-4-amine is sourced from PubChem (CID 15886030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).