1-N-(2-fluoroethyl)-4-N-[8-(oxan-4-yloxy)quinazolin-2-yl]cyclohexane-1,4-diamine

C21H29FN4O2 — CID 59224416

IUPAC1-N-(2-fluoroethyl)-4-N-[8-(oxan-4-yloxy)quinazolin-2-yl]cyclohexane-1,4-diamine
SMILESFCCNC1CCC(Nc2ncc3cccc(OC4CCOCC4)c3n2)CC1
InChIInChI=1S/C21H29FN4O2/c22-10-11-23-16-4-6-17(7-5-16)25-21-24-14-15-2-1-3-19(20(15)26-21)28-18-8-12-27-13-9-18/h1-3,14,16-18,23H,4-13H2,(H,24,25,26)
InChIKeyOMUVYYUPQIASAO-UHFFFAOYSA-N
MW388.49 g/mol
LogP3.47
Rot. Bonds7

About 1-N-(2-fluoroethyl)-4-N-[8-(oxan-4-yloxy)quinazolin-2-yl]cyclohexane-1,4-diamine

1-N-(2-fluoroethyl)-4-N-[8-(oxan-4-yloxy)quinazolin-2-yl]cyclohexane-1,4-diamine (PubChem CID 59224416) has the molecular formula C21H29FN4O2 and a molecular weight of 388.49 g/mol. Its IUPAC name is 1-N-(2-fluoroethyl)-4-N-[8-(oxan-4-yloxy)quinazolin-2-yl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name1-N-(2-fluoroethyl)-4-N-[8-(oxan-4-yloxy)quinazolin-2-yl]cyclohexane-1,4-diamine
PubChem CID59224416
Molecular FormulaC21H29FN4O2
Molecular Weight388.49 g/mol
Exact Mass388.23
IUPAC Name1-N-(2-fluoroethyl)-4-N-[8-(oxan-4-yloxy)quinazolin-2-yl]cyclohexane-1,4-diamine
SMILESFCCNC1CCC(Nc2ncc3cccc(OC4CCOCC4)c3n2)CC1
InChIInChI=1S/C21H29FN4O2/c22-10-11-23-16-4-6-17(7-5-16)25-21-24-14-15-2-1-3-19(20(15)26-21)28-18-8-12-27-13-9-18/h1-3,14,16-18,23H,4-13H2,(H,24,25,26)
InChIKeyOMUVYYUPQIASAO-UHFFFAOYSA-N
XLogP3.47
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-N-(2-fluoroethyl)-4-N-[8-(oxan-4-yloxy)quinazolin-2-yl]cyclohexane-1,4-diamine with MolForge

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Related Compounds

Vuf5574
CID 4046493
8-({6-[4-(Trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)quinazolin-2-amine
CID 10068521
8-({6-[4-(Trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)quinoline
CID 10316876
N-(4-fluoro-2-methylphenyl)-8-methoxy-4-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-2-amine
CID 21476448
N4-[2-[4-(2-pyridylmethoxy)phenyl]ethyl]quinazoline-4,6-diamine
CID 509556
8-(3-Dimethylaminopropoxy)-2-[(2-methylphenyl)amino]-4-(N-methylphenylamino)quinazoline
CID 10003444
8-Methoxy-N*2*-methyl-N*2*-phenyl-N*4*-o-tolyl-quinazoline-2,4-diamine
CID 10022071
4-(N-Methylphenylamino)-2-(2-methylphenylamino)-8-methoxyquinazoline
CID 10067754
N*2*-(4-Fluoro-2-methyl-phenyl)-8-methoxy-N*4*-methyl-N*4*-phenyl-quinazoline-2,4-diamine
CID 10068853
8-(3-Dimethylamino-propoxy)-N*2*-(4-fluoro-2-methyl-phenyl)-N*4*-methyl-N*4*-phenyl-quinazoline-2,4-diamine
CID 10072913
8-Methoxy-2,4-bis(2-methylphenylamino)quinazoline
CID 10248595
2-[2-(4-Fluoro-2-methyl-phenylamino)-4-(methyl-phenyl-amino)-quinazolin-8-yloxy]-ethanol
CID 10319855

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-fluoroethyl)-4-N-[8-(oxan-4-yloxy)quinazolin-2-yl]cyclohexane-1,4-diamine?
The IUPAC name of 1-N-(2-fluoroethyl)-4-N-[8-(oxan-4-yloxy)quinazolin-2-yl]cyclohexane-1,4-diamine (CID 59224416) is 1-N-(2-fluoroethyl)-4-N-[8-(oxan-4-yloxy)quinazolin-2-yl]cyclohexane-1,4-diamine.
What is the SMILES notation for 1-N-(2-fluoroethyl)-4-N-[8-(oxan-4-yloxy)quinazolin-2-yl]cyclohexane-1,4-diamine?
The canonical SMILES for 1-N-(2-fluoroethyl)-4-N-[8-(oxan-4-yloxy)quinazolin-2-yl]cyclohexane-1,4-diamine is FCCNC1CCC(Nc2ncc3cccc(OC4CCOCC4)c3n2)CC1.
What is the InChIKey of 1-N-(2-fluoroethyl)-4-N-[8-(oxan-4-yloxy)quinazolin-2-yl]cyclohexane-1,4-diamine?
The InChIKey is OMUVYYUPQIASAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29FN4O2/c22-10-11-23-16-4-6-17(7-5-16)25-21-24-14-15-2-1-3-19(20(15)26-21)28-18-8-12-27-13-9-18/h1-3,14,16-18,23H,4-13H2,(H,24,25,26).
What are the key properties of 1-N-(2-fluoroethyl)-4-N-[8-(oxan-4-yloxy)quinazolin-2-yl]cyclohexane-1,4-diamine?
1-N-(2-fluoroethyl)-4-N-[8-(oxan-4-yloxy)quinazolin-2-yl]cyclohexane-1,4-diamine has a molecular weight of 388.49 g/mol, XLogP of 3.47, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-fluoroethyl)-4-N-[8-(oxan-4-yloxy)quinazolin-2-yl]cyclohexane-1,4-diamine is sourced from PubChem (CID 59224416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).