N-(4-chloro-2-fluorophenyl)-6-methoxy-7-[[2-(methylamino)-4-pyridinyl]methoxy]quinazolin-4-amine

C22H19ClFN5O2 — CID 21186976

IUPACN-(4-chloro-2-fluorophenyl)-6-methoxy-7-[[2-(methylamino)-4-pyridinyl]methoxy]quinazolin-4-amine
SMILESCNc1cc(COc2cc3ncnc(Nc4ccc(Cl)cc4F)c3cc2OC)ccn1
InChIInChI=1S/C22H19ClFN5O2/c1-25-21-7-13(5-6-26-21)11-31-20-10-18-15(9-19(20)30-2)22(28-12-27-18)29-17-4-3-14(23)8-16(17)24/h3-10,12H,11H2,1-2H3,(H,25,26)(H,27,28,29)
InChIKeyIEZRDTCVXOTRHW-UHFFFAOYSA-N
MW439.88 g/mol
LogP5.19
Rot. Bonds7

About N-(4-chloro-2-fluorophenyl)-6-methoxy-7-[[2-(methylamino)-4-pyridinyl]methoxy]quinazolin-4-amine

N-(4-chloro-2-fluorophenyl)-6-methoxy-7-[[2-(methylamino)-4-pyridinyl]methoxy]quinazolin-4-amine (PubChem CID 21186976) has the molecular formula C22H19ClFN5O2 and a molecular weight of 439.88 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-6-methoxy-7-[[2-(methylamino)-4-pyridinyl]methoxy]quinazolin-4-amine.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-6-methoxy-7-[[2-(methylamino)-4-pyridinyl]methoxy]quinazolin-4-amine
PubChem CID21186976
Molecular FormulaC22H19ClFN5O2
Molecular Weight439.88 g/mol
Exact Mass439.12
IUPAC NameN-(4-chloro-2-fluorophenyl)-6-methoxy-7-[[2-(methylamino)-4-pyridinyl]methoxy]quinazolin-4-amine
SMILESCNc1cc(COc2cc3ncnc(Nc4ccc(Cl)cc4F)c3cc2OC)ccn1
InChIInChI=1S/C22H19ClFN5O2/c1-25-21-7-13(5-6-26-21)11-31-20-10-18-15(9-19(20)30-2)22(28-12-27-18)29-17-4-3-14(23)8-16(17)24/h3-10,12H,11H2,1-2H3,(H,25,26)(H,27,28,29)
InChIKeyIEZRDTCVXOTRHW-UHFFFAOYSA-N
XLogP5.19
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.88
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(4-chloro-2-fluorophenyl)-6-methoxy-7-[[2-(methylamino)-4-pyridinyl]methoxy]quinazolin-4-amine with MolForge

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Related Compounds

Erlotinib
CID 176870
Vandetanib
CID 3081361
Gefitinib
CID 123631
N-(3-Chlorophenyl)-6,7-dimethoxy-4-quinazolinamine
CID 2051
Erlotinib Hydrochloride
CID 176871
Sapitinib
CID 11488320
Tandutinib
CID 3038522
N-(3,4-dichloro-2-fluorophenyl)-6-methoxy-7-(((3aR,6aS)-2-methyloctahydrocyclopenta(c)pyrrol-5-yl)methoxy)-4-quinazolinamine
CID 10458325
Krn-633
CID 9549295
Icotinib
CID 22024915
Poziotinib
CID 25127713
N-(3-chlorophenyl)-6,7-dimethoxyquinazolin-4-amine hydrochloride
CID 3035187

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-6-methoxy-7-[[2-(methylamino)-4-pyridinyl]methoxy]quinazolin-4-amine?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-6-methoxy-7-[[2-(methylamino)-4-pyridinyl]methoxy]quinazolin-4-amine (CID 21186976) is N-(4-chloro-2-fluorophenyl)-6-methoxy-7-[[2-(methylamino)-4-pyridinyl]methoxy]quinazolin-4-amine.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-6-methoxy-7-[[2-(methylamino)-4-pyridinyl]methoxy]quinazolin-4-amine?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-6-methoxy-7-[[2-(methylamino)-4-pyridinyl]methoxy]quinazolin-4-amine is CNc1cc(COc2cc3ncnc(Nc4ccc(Cl)cc4F)c3cc2OC)ccn1.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-6-methoxy-7-[[2-(methylamino)-4-pyridinyl]methoxy]quinazolin-4-amine?
The InChIKey is IEZRDTCVXOTRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClFN5O2/c1-25-21-7-13(5-6-26-21)11-31-20-10-18-15(9-19(20)30-2)22(28-12-27-18)29-17-4-3-14(23)8-16(17)24/h3-10,12H,11H2,1-2H3,(H,25,26)(H,27,28,29).
What are the key properties of N-(4-chloro-2-fluorophenyl)-6-methoxy-7-[[2-(methylamino)-4-pyridinyl]methoxy]quinazolin-4-amine?
N-(4-chloro-2-fluorophenyl)-6-methoxy-7-[[2-(methylamino)-4-pyridinyl]methoxy]quinazolin-4-amine has a molecular weight of 439.88 g/mol, XLogP of 5.19, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-6-methoxy-7-[[2-(methylamino)-4-pyridinyl]methoxy]quinazolin-4-amine is sourced from PubChem (CID 21186976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).