N-(3-chloro-2-fluorophenyl)-7-methoxy-6-(morpholin-4-ylmethyl)quinazolin-4-amine

C20H20ClFN4O2 — CID 122192382

IUPACN-(3-chloro-2-fluorophenyl)-7-methoxy-6-(morpholin-4-ylmethyl)quinazolin-4-amine
SMILESCOc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CCOCC1
InChIInChI=1S/C20H20ClFN4O2/c1-27-18-10-17-14(9-13(18)11-26-5-7-28-8-6-26)20(24-12-23-17)25-16-4-2-3-15(21)19(16)22/h2-4,9-10,12H,5-8,11H2,1H3,(H,23,24,25)
InChIKeyFCKWCFASCOSSIK-UHFFFAOYSA-N
MW402.86 g/mol
LogP4.01
Rot. Bonds5

About N-(3-chloro-2-fluorophenyl)-7-methoxy-6-(morpholin-4-ylmethyl)quinazolin-4-amine

N-(3-chloro-2-fluorophenyl)-7-methoxy-6-(morpholin-4-ylmethyl)quinazolin-4-amine (PubChem CID 122192382) has the molecular formula C20H20ClFN4O2 and a molecular weight of 402.86 g/mol. Its IUPAC name is N-(3-chloro-2-fluorophenyl)-7-methoxy-6-(morpholin-4-ylmethyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-2-fluorophenyl)-7-methoxy-6-(morpholin-4-ylmethyl)quinazolin-4-amine
PubChem CID122192382
Molecular FormulaC20H20ClFN4O2
Molecular Weight402.86 g/mol
Exact Mass402.13
IUPAC NameN-(3-chloro-2-fluorophenyl)-7-methoxy-6-(morpholin-4-ylmethyl)quinazolin-4-amine
SMILESCOc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CCOCC1
InChIInChI=1S/C20H20ClFN4O2/c1-27-18-10-17-14(9-13(18)11-26-5-7-28-8-6-26)20(24-12-23-17)25-16-4-2-3-15(21)19(16)22/h2-4,9-10,12H,5-8,11H2,1H3,(H,23,24,25)
InChIKeyFCKWCFASCOSSIK-UHFFFAOYSA-N
XLogP4.01
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.86
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-fluorophenyl)-7-methoxy-6-(morpholin-4-ylmethyl)quinazolin-4-amine?
The IUPAC name of N-(3-chloro-2-fluorophenyl)-7-methoxy-6-(morpholin-4-ylmethyl)quinazolin-4-amine (CID 122192382) is N-(3-chloro-2-fluorophenyl)-7-methoxy-6-(morpholin-4-ylmethyl)quinazolin-4-amine.
What is the SMILES notation for N-(3-chloro-2-fluorophenyl)-7-methoxy-6-(morpholin-4-ylmethyl)quinazolin-4-amine?
The canonical SMILES for N-(3-chloro-2-fluorophenyl)-7-methoxy-6-(morpholin-4-ylmethyl)quinazolin-4-amine is COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CCOCC1.
What is the InChIKey of N-(3-chloro-2-fluorophenyl)-7-methoxy-6-(morpholin-4-ylmethyl)quinazolin-4-amine?
The InChIKey is FCKWCFASCOSSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN4O2/c1-27-18-10-17-14(9-13(18)11-26-5-7-28-8-6-26)20(24-12-23-17)25-16-4-2-3-15(21)19(16)22/h2-4,9-10,12H,5-8,11H2,1H3,(H,23,24,25).
What are the key properties of N-(3-chloro-2-fluorophenyl)-7-methoxy-6-(morpholin-4-ylmethyl)quinazolin-4-amine?
N-(3-chloro-2-fluorophenyl)-7-methoxy-6-(morpholin-4-ylmethyl)quinazolin-4-amine has a molecular weight of 402.86 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-fluorophenyl)-7-methoxy-6-(morpholin-4-ylmethyl)quinazolin-4-amine is sourced from PubChem (CID 122192382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).