N-(3-chloro-4-fluorophenyl)-7-methoxy-6-morpholin-4-ylquinazolin-4-amine

C19H18ClFN4O2 — CID 122192387

IUPACN-(3-chloro-4-fluorophenyl)-7-methoxy-6-morpholin-4-ylquinazolin-4-amine
SMILESCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1N1CCOCC1
InChIInChI=1S/C19H18ClFN4O2/c1-26-18-10-16-13(9-17(18)25-4-6-27-7-5-25)19(23-11-22-16)24-12-2-3-15(21)14(20)8-12/h2-3,8-11H,4-7H2,1H3,(H,22,23,24)
InChIKeyQWRSVKFESAHALM-UHFFFAOYSA-N
MW388.83 g/mol
LogP4.01
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-7-methoxy-6-morpholin-4-ylquinazolin-4-amine

N-(3-chloro-4-fluorophenyl)-7-methoxy-6-morpholin-4-ylquinazolin-4-amine (PubChem CID 122192387) has the molecular formula C19H18ClFN4O2 and a molecular weight of 388.83 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-7-methoxy-6-morpholin-4-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-7-methoxy-6-morpholin-4-ylquinazolin-4-amine
PubChem CID122192387
Molecular FormulaC19H18ClFN4O2
Molecular Weight388.83 g/mol
Exact Mass388.11
IUPAC NameN-(3-chloro-4-fluorophenyl)-7-methoxy-6-morpholin-4-ylquinazolin-4-amine
SMILESCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1N1CCOCC1
InChIInChI=1S/C19H18ClFN4O2/c1-26-18-10-16-13(9-17(18)25-4-6-27-7-5-25)19(23-11-22-16)24-12-2-3-15(21)14(20)8-12/h2-3,8-11H,4-7H2,1H3,(H,22,23,24)
InChIKeyQWRSVKFESAHALM-UHFFFAOYSA-N
XLogP4.01
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.83
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-4-fluorophenyl)-7-methoxy-6-morpholin-4-ylquinazolin-4-amine?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-7-methoxy-6-morpholin-4-ylquinazolin-4-amine (CID 122192387) is N-(3-chloro-4-fluorophenyl)-7-methoxy-6-morpholin-4-ylquinazolin-4-amine.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-7-methoxy-6-morpholin-4-ylquinazolin-4-amine?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-7-methoxy-6-morpholin-4-ylquinazolin-4-amine is COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1N1CCOCC1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-7-methoxy-6-morpholin-4-ylquinazolin-4-amine?
The InChIKey is QWRSVKFESAHALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN4O2/c1-26-18-10-16-13(9-17(18)25-4-6-27-7-5-25)19(23-11-22-16)24-12-2-3-15(21)14(20)8-12/h2-3,8-11H,4-7H2,1H3,(H,22,23,24).
What are the key properties of N-(3-chloro-4-fluorophenyl)-7-methoxy-6-morpholin-4-ylquinazolin-4-amine?
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-morpholin-4-ylquinazolin-4-amine has a molecular weight of 388.83 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-7-methoxy-6-morpholin-4-ylquinazolin-4-amine is sourced from PubChem (CID 122192387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).