7-(4-fluorophenyl)-5-N-(2-morpholin-4-ylethoxy)-7,8-dihydroquinazoline-2,5-diamine

C20H24FN5O2 — CID 90985438

IUPAC7-(4-fluorophenyl)-5-N-(2-morpholin-4-ylethoxy)-7,8-dihydroquinazoline-2,5-diamine
SMILESNc1ncc2c(n1)CC(c1ccc(F)cc1)C=C2NOCCN1CCOCC1
InChIInChI=1S/C20H24FN5O2/c21-16-3-1-14(2-4-16)15-11-18-17(13-23-20(22)24-18)19(12-15)25-28-10-7-26-5-8-27-9-6-26/h1-4,12-13,15,25H,5-11H2,(H2,22,23,24)
InChIKeyRFDPUPXTWJMPNX-UHFFFAOYSA-N
MW385.44 g/mol
LogP1.73
Rot. Bonds6

About 7-(4-fluorophenyl)-5-N-(2-morpholin-4-ylethoxy)-7,8-dihydroquinazoline-2,5-diamine

7-(4-fluorophenyl)-5-N-(2-morpholin-4-ylethoxy)-7,8-dihydroquinazoline-2,5-diamine (PubChem CID 90985438) has the molecular formula C20H24FN5O2 and a molecular weight of 385.44 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-5-N-(2-morpholin-4-ylethoxy)-7,8-dihydroquinazoline-2,5-diamine.

Molecular Properties

Compound Name7-(4-fluorophenyl)-5-N-(2-morpholin-4-ylethoxy)-7,8-dihydroquinazoline-2,5-diamine
PubChem CID90985438
Molecular FormulaC20H24FN5O2
Molecular Weight385.44 g/mol
Exact Mass385.19
IUPAC Name7-(4-fluorophenyl)-5-N-(2-morpholin-4-ylethoxy)-7,8-dihydroquinazoline-2,5-diamine
SMILESNc1ncc2c(n1)CC(c1ccc(F)cc1)C=C2NOCCN1CCOCC1
InChIInChI=1S/C20H24FN5O2/c21-16-3-1-14(2-4-16)15-11-18-17(13-23-20(22)24-18)19(12-15)25-28-10-7-26-5-8-27-9-6-26/h1-4,12-13,15,25H,5-11H2,(H2,22,23,24)
InChIKeyRFDPUPXTWJMPNX-UHFFFAOYSA-N
XLogP1.73
TPSA85.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-N-methoxy-7-(4-methylphenyl)-7,8-dihydroquinazoline-2,5-diamine
CID 91140524
(7S)-7-(3,5-difluorophenyl)-2-(3-morpholin-4-ylpropylamino)-7,8-dihydro-6H-quinazolin-5-one
CID 29044438
1-[(2S)-2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-2-morpholin-4-ylethanone
CID 95837026
4-[2-[2-(4-fluorophenoxy)ethoxy]ethyl]morpholine
CID 30983916
5-fluoro-4-N-(3-morpholin-4-ylpropyl)pyrimidine-2,4-diamine
CID 80771545
3-fluoro-2-(2-morpholin-4-ylethoxy)aniline
CID 113458214
5-fluoro-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine
CID 143049314
4-[2-(4-fluorophenyl)ethyl]morpholine
CID 100965302
3-(2-morpholin-4-ylethoxy)benzene-1,2-diamine
CID 91269103
1-(5-fluoro-2-pyridinyl)-N-(2-morpholin-4-ylethyl)ethanamine
CID 83117663
4-(4-fluorophenyl)-5-(3-morpholin-4-ylpropoxy)pyridine-2-carboxamide
CID 134327152
5-[3,5-bis(trifluoromethyl)phenyl]-4-N-(3-morpholin-4-ylpropyl)pyrimidine-2,4-diamine
CID 87621675

Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-5-N-(2-morpholin-4-ylethoxy)-7,8-dihydroquinazoline-2,5-diamine?
The IUPAC name of 7-(4-fluorophenyl)-5-N-(2-morpholin-4-ylethoxy)-7,8-dihydroquinazoline-2,5-diamine (CID 90985438) is 7-(4-fluorophenyl)-5-N-(2-morpholin-4-ylethoxy)-7,8-dihydroquinazoline-2,5-diamine.
What is the SMILES notation for 7-(4-fluorophenyl)-5-N-(2-morpholin-4-ylethoxy)-7,8-dihydroquinazoline-2,5-diamine?
The canonical SMILES for 7-(4-fluorophenyl)-5-N-(2-morpholin-4-ylethoxy)-7,8-dihydroquinazoline-2,5-diamine is Nc1ncc2c(n1)CC(c1ccc(F)cc1)C=C2NOCCN1CCOCC1.
What is the InChIKey of 7-(4-fluorophenyl)-5-N-(2-morpholin-4-ylethoxy)-7,8-dihydroquinazoline-2,5-diamine?
The InChIKey is RFDPUPXTWJMPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN5O2/c21-16-3-1-14(2-4-16)15-11-18-17(13-23-20(22)24-18)19(12-15)25-28-10-7-26-5-8-27-9-6-26/h1-4,12-13,15,25H,5-11H2,(H2,22,23,24).
What are the key properties of 7-(4-fluorophenyl)-5-N-(2-morpholin-4-ylethoxy)-7,8-dihydroquinazoline-2,5-diamine?
7-(4-fluorophenyl)-5-N-(2-morpholin-4-ylethoxy)-7,8-dihydroquinazoline-2,5-diamine has a molecular weight of 385.44 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-5-N-(2-morpholin-4-ylethoxy)-7,8-dihydroquinazoline-2,5-diamine is sourced from PubChem (CID 90985438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).