N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]-2-pyridin-3-ylquinazolin-4-amine

C25H25FN5O+ — CID 2553407

IUPACN-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]-2-pyridin-3-ylquinazolin-4-amine
SMILESFc1ccc([C@H](CNc2nc(-c3cccnc3)nc3ccccc23)[NH+]2CCOCC2)cc1
InChIInChI=1S/C25H24FN5O/c26-20-9-7-18(8-10-20)23(31-12-14-32-15-13-31)17-28-25-21-5-1-2-6-22(21)29-24(30-25)19-4-3-11-27-16-19/h1-11,16,23H,12-15,17H2,(H,28,29,30)/p+1/t23-/m0/s1
InChIKeyFZXSHGUXTRKGGD-QHCPKHFHSA-O
MW430.51 g/mol
LogP2.90
Rot. Bonds6

About N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]-2-pyridin-3-ylquinazolin-4-amine

N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]-2-pyridin-3-ylquinazolin-4-amine (PubChem CID 2553407) has the molecular formula C25H25FN5O+ and a molecular weight of 430.51 g/mol. Its IUPAC name is N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]-2-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]-2-pyridin-3-ylquinazolin-4-amine
PubChem CID2553407
Molecular FormulaC25H25FN5O+
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC NameN-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]-2-pyridin-3-ylquinazolin-4-amine
SMILESFc1ccc([C@H](CNc2nc(-c3cccnc3)nc3ccccc23)[NH+]2CCOCC2)cc1
InChIInChI=1S/C25H24FN5O/c26-20-9-7-18(8-10-20)23(31-12-14-32-15-13-31)17-28-25-21-5-1-2-6-22(21)29-24(30-25)19-4-3-11-27-16-19/h1-11,16,23H,12-15,17H2,(H,28,29,30)/p+1/t23-/m0/s1
InChIKeyFZXSHGUXTRKGGD-QHCPKHFHSA-O
XLogP2.90
TPSA64.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]-2-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]-2-pyridin-3-ylquinazolin-4-amine (CID 2553407) is N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]-2-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]-2-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]-2-pyridin-3-ylquinazolin-4-amine is Fc1ccc([C@H](CNc2nc(-c3cccnc3)nc3ccccc23)[NH+]2CCOCC2)cc1.
What is the InChIKey of N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]-2-pyridin-3-ylquinazolin-4-amine?
The InChIKey is FZXSHGUXTRKGGD-QHCPKHFHSA-O. The full InChI is InChI=1S/C25H24FN5O/c26-20-9-7-18(8-10-20)23(31-12-14-32-15-13-31)17-28-25-21-5-1-2-6-22(21)29-24(30-25)19-4-3-11-27-16-19/h1-11,16,23H,12-15,17H2,(H,28,29,30)/p+1/t23-/m0/s1.
What are the key properties of N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]-2-pyridin-3-ylquinazolin-4-amine?
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]-2-pyridin-3-ylquinazolin-4-amine has a molecular weight of 430.51 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]-2-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 2553407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).